Indian Association for the Cultivation of Science

Name : Satrajit Adhikari

Deptartment : School of Chemical Sciences
Designation : Senior Professor, IACS & Adjunct Professor, IISER Kolkata, HOD CCRES
Contact : +91 33 2473 4971 (Ext:2119)
Email : pcsa@iacs.res.in


Home

 

 

Research Interests

  • Beyond Born-Oppenheimer theoretical development and its applications on spectroscopic and scattering processes
  • Methodological development for the dynamics of multi-electronic multi-mode molecular systems
  • Thermal effects on molecule-surface scattering
  • Reaction dynamics for triatomic systems on single (adiabatic) and multiple (diabatic) potential energy surface(s)
  • Selective photodissociation dynamics of bonds in small molecules
  • Role of Jahn-Teller effect in the phase transition of orthorhombic rare earth crystals


Academic Profile

Academic Profile

Educational Qualifications
 
1987            B. Sc. (The University of Burdwan) Honours in Chemistry
1989            M. Sc. (The University of Burdwan) Special in Physical Chemistry
1996            Ph. D. (IACS, Kolkata) Physical Chemistry
 
Fellowships
 
1990            JRF (UGC-CSIR) and GATE
1996            Post Doctoral Fellowship by an SNF-grant
                    (The Danish Natural Science Research Council)
2000            Visiting Scientist (Hebrew University) supported by
                    United States-Israel Binational Science Foundation (BSF)
 
 
Academic Positions Held
 
1996-2000   Post Doctoral Research Associate (Copenhagen University, Denmark)
2000              Visiting Scientist
                      (The Fritz Haber Research Center, The Hebrew University, Jerusalem)
2001              Lecturer (BITS Pilani, Rajasthan)
2001-2007   Assistant Professor (IIT Guwahati)
2007-2012   Associate Professor (IACS, Kolkata)
2012-2016   Professor (IACS, Kolkata)
2016-present  Senior Professor (IACS Kolkata)
2018-2020  Adjunct Professor (IISER Kolkata)
2021-          Adjunct Research Professor (IISER Kolkata)
 
Visiting Professorship
 
2007                The Hebrew University, Jerusalem
2007                The University of Debrecen, Hungery
2010                University of Coimbra, Portugal
2011                University of Coimbra, Portugal
2015                Leiden University, Netherlands


Group

Dr. Abhishek Kumar

RA-I
 Ph.D. (from IIT Patna)
 Application of Beyond Born-Oppenheimer theory in Spectroscopic and Scattering Processes abhishek4best@gmail.com
Mr. Mantu Kumar Sah

JRF
M.Sc. (from IIT Madras)
Application of beyond Born-Oppenheimer theories in triatomic scattering processes
mn2iacs@gmail.com
Ms. Subhali Basu

JRF
M.Sc. (from Kazi Nazrul University, Asansol)
Implication of beyond Born-Oppenheimer theories in spectroscopic systems
subhalibasu@gmail.com
Dr. Soumya Mukherjee

RA-I
 Ph.D. (IACS Kolkata)
Nonadiabatic processes in molecular spectroscopy and scattering
pcsm5@iacs.res.in
Dr. Joy Dutta

RA-I
 Ph.D. (IACS Kolkata)
Molecule surface scattering and triatomic reaction employing quantum classical methedology and jahn-teller effect on phase transitions of solids
stjd@iacs.res.in
Mr. Koushik Naskar

SRF
M.Sc. (IIT Guwahati)
Reaction dynamics under beyond Born-Oppenheimer situations
pckn@iacs.res.in
Mr. Saikat Hazra

JRF
M.Sc. (Visva-Bharati University, Bolpur)
Effect of electron nuclear coupling in photoelectron spectroscopy and triatomic scattering processes
cssh2499@iacs.res.in

 


Publication



Publications

 
155. Satrajit Adhikari and co-workers,
Time dependent quantum wave packet study of H2+ + He → HeH+ + H reaction on accurate ab initio potential energy surfaces,
Journal of Chemical Physics. (to be submitted, 2022).
 
154. Satrajit Adhikari and co-workers,
Beyond Born-Oppenheimer constructed diabatic potential energy surfaces for HeH2+,
Journal of Chemical Physics. (to be submitted, 2022).
 
153. Mantu Kumar Sah, Satyam Ravi, Soumya Mukherjee, Joy Dutta and Satrajit Adhikari,
Contruction of Diabatic Hamiltonian of a Transition Metal Complex, TiO68- from ab initio based adiabatic potential energy surfaces and nonadiabatic coupling terms,
Phys. Chem. Chem. Phys.(to be submitted, 2022).
 
152. Koushik Naskar, Sandip Ghosh and Satrajit Adhikari,
Fully coupled 3D (J>0) Time Dependent Wave Packet calculation using Hypershperical Coordinates on diabatic surfaces of F+H2, Journal of Chemical Physics. (submitted, 2022).
 
151. Joy Dutta, Koushik Naskar, Satrajit Adhikari, Joerg Meyer, and Mark Somers,
Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface,
Journal of Chemical Physics (accepted, 2022).
 
150. Saikat Hazra, Soumya Mukherjee, Satyam Ravi, Subhankar Sardar and Satrajit Adhikari,
Chem. Phys. Chem. DOI: 10.1002/cphc.202200482 (2022).
 
149. Soumya Mukherjee, Saikat Hazra, Sandip Ghosh, Saikat Mukherjee and Satrajit Adhikari,
Chemical Physics 560, 111588 (2022).
 

148. Koushik Naskar, Sandip Ghosh and Satrajit Adhikari,
Accurate Calculation of Rate Constant and Isotope Effect for F+H2 Reaction by Coupled 3D Time-dependent Wave Packet Method on the Newly Constructed ab initio Ground Potential Energy Surface,
Journal of Physical Chemistry A, 126, 3311 (2022).

 
147. Satrajit Adhikari, Michael Baer and Narayanasami Sathyamurthy
International Reviews in Physical Chemistry 41, 49 (2022).

 

 
146. Joy Dutta, Satyam Ravi, Soumya Mukherjee, Avik Kumar Ojha and Satrajit Adhikari,
Journal of Physical Chemistry A 126, 691-709 (2022).

 

 
145. S. Mukherjee, S. Ravi, Joy Dutta, S. Sardar and S. Adhikari,
Physical Chemistry Chemical Physics 24, 2185-2202 (2022).
 

144. J. Dutta, S. Mandal and S. Adhikari,
Formulation of Temperature Dependent Effective Hartree Potential Incorporating Quadratic over Linear Molecular DOFs-Surface Modes Couplings and Its Effect on Quantum Dynamics of D(v = 0, j = 0) / D(v = 0, j = 2) on Cu(111) Metal Surface,
Chemical Physics 552, 111371 (2022).

 

143. S Ghosh, R. Sharma, S. Adhikari and A. J. C. Varandas,
Dynamical Calculations of O(3P) + OH(2∏) Reaction on the CHIPR Potential Energy Surface using Fully Coupled Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates,

Physical Chemistry Chemical Physics, 23, 21784 - 21796 (2021).

 

 

142. S. Mukherjee, S. Ravi, K. Naskar, S. Sardar and S. Adhikari,
A Beyond Born-Oppenheimer Treatment of C6H6+ Radical Cation for Diabatic Surfaces: Photoelectron Spectra of its Neutral Analogue Using Time-Dependent Discrete Variable Representation,
Journal of Chemical Physics, 154, 094306 (2021).

 

141. J. Dutta, S. Mandal, S. Adhikari, Paul Spiering, Jorg Meyer and Mark F. Somers,
Effect of surface temperature on quantum dynamics of H2 on Cu(111) using a chemically accurate potential surface,
Journal of Chemical Physics, 154, 104103 (2021).

 

140. S. Ghosh, T. Sahoo, M. Baer and S. Adhikari,
Charge Transfer Processes for H + H2+ Reaction Employing Coupled 3D Wavepacket Approach on Beyond Born-Oppenheimer Based Ab Initio Constructed Diabatic Potential Energy Surfaces,
Journal of Physical Chemistry A, 125, 731-745 (2021).

 

139. J. Dutta, S. Mukherjee, K. Naskar, S. Ghosh, B. Mukherjee, S. Ravi and S. Adhikari,
The role of electron-nuclear coupling on multi-state photoelectron spectra, scattering processes and phase transitions,
Physical Chemistry Chemical Physics (Perspective), 22, 27496-27524 (2020).

 
138. B. Mukherjee, K. Naskar, S. Mukherjee, S. Ravi, K. R. Shamasundar, D. Mukhopadhyay and S. Adhikari,
Beyond Born-Oppenheimer Constructed Diabatic Potential Energy Surfaces for F+H2 Reaction,
Journal of Chemical Physics, 153, 174301/1-20 (2020).
 

137. S. Ravi, S. Mukherjee, B. Mukherjee, S. Adhikari, N. Sathyamurthy and M. Baer,
Non-adiabatic coupling as a frictional force in the formation of H3+: A model dynamical study,
The European Physical Journal D, 74, 1-13 (2020).

 

136. S. Ravi, S. Mukherjee, B. Mukherjee, S. Adhikari, N. Sathyamurthy and M. Baer,
Non-adiabatic coupling as a frictional force in (He, H, H)+ dynamics and the formation of HeH2+,
Molecular Physics, DOI: 10.1080/00268976.2020.1811907, e1811907 (2020).

 
135.  K. Naskar, Soumya Mukherjee, B. Mukherjee, S. Ravi, Saikat Mukherjee, S. Sardar and S. Adhikari,
Journal of Chemical Theory and Computation, 16, 1666-1680 (2020).
 
 
134. A. K. Gupta, V. Dhindhwal, M. Baer, N. Sathyamurthy, S. Ravi, S. Mukherjee, B. Mukherjee and S. Adhikari,
Molecular Physics 118e1683243 (2019).
 
133. B. Mukherjee, K. Naskar, S. Mukherjee, S. Ghosh, T. Sahoo and S. Adhikari,
International Reviews in Physical Chemistry, 38, 287 (2019).
 

132. S. Ghosh, R. Sharma, S. Adhikari and A. J. C. Varandas
Fully Coupled 3D (J>0) Time-Dependent Wave-Packet Calculations using Hyperspherical Coordinates for H + OReaction on the CHIPR Potential Energy Surface,
Physical Chemistry Chemical Physics, 21, 20166 (2019).

 

131. B. Mukherjee, K. R. Shamasundar, S. Adhikari and M. Baer
Topological Studies related to Molecular Systems formed during the Big Bang: H3+ as an Example,
International Journal of Quantum Chemistry, 119, e25949 (2019).

 

130. Soumya Mukherjee, B. Mukherjee, S. Sardar and S. Adhikari,
Extended Born-Oppenheimer Equations for Non-Abelian Situations: A Study on NO3 Radical and 1,3,5-C6H3F3+ Radical Cation
Computational and Theoretical Chemistry 1154, 57 (2019).

 

129. J. Dutta, S. Adhikari and N. N. Kovaleva
Cubic Perturbed Centrifugally Stabilized Excited State in Orthorhombic Manganites,
Journal of Chemical Physics 150, 064703 (2019).

 

128. Soumya Mukherjee, J. Dutta, B. Mukherjee, S. Sardar and S. Adhikari,
Conical Intersections and Nonadiabatic Coupling Terms in 1,3,5-C6H3F3+: A Six State Beyond Born-Oppenheimer Treatment,
Journal of Chemical Physics 150, 064308 (2019).

 

127. B. Mukherjee, S. Ghosh and S. Adhikari,
Beyond Born-Oppenheimer treatment on spectroscopic and scattering processes,
Journal of Physics: Conference Series (invited article) 1148, 012001 (2018).

 

126. S. Mandal, S. Ghosh, S. Sardar and S. Adhikari,
The TDDVR approach for molecular photo-excitation, molecule-surface and triatomic reactive scattering processes,
International Reviews in Physical Chemistry 37, 607 (2018).

 

125. B. Mukherjee, S. Mukherjee, S. Sardar, K. R. Shamasundar and S. Adhikari,
A Beyond Born-Oppenheimer Treatment of Five State Molecular System NO3 and the Photodetachment Spectra of its anion,
Chemical Physics (invited article) 515, 350 (2018).

 

124. Soumya Mukherjee, B. Mukherjee, J. Dutta, S. Sardar and S. Adhikari,
Topological effects in vibronically coupled degenerate electronic states: A case study on nitrate and benzene radical cation,
ACS omega 3, 12465 (2018).

 

123. B. Mukherjee, D. Mukhopadhyay, S. Adhikari and M. Baer,
Corrigendum: Topological study of the H3++ molecular system: H3++ as a cornerstone for building molecules during the Big Bang,
Corrigendum, Molecular Physics 116, x (2018).

 

122. B. Mukherjee, D. Mukhopadhyay, S. Adhikari and M. Baer,
Topological study of the H3++ molecular system: H3++ as a cornerstone for building molecules during the Big Bang,
Molecular Physics (invited article) 116, 2435 (2018).

 

121. S. Ghosh, R. Sharma, S. Adhikari and A. J. C. Varandas,
3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates for H+O2 Reaction on the CHIPR Potential Energy Surfaces,
Physical Chemistry Chemical Physics 20, 478 (2018).

 

120. Soumya Mukherjee, B. Mukherjee and S. Adhikari,
Five Electronic State Beyond Born-Oppenheimer Equations and their Applications to Nitrate and Benzene Radical Cation,
The Journal of Physical Chemistry A 121, 6314 (2017)

 

119. S. Ghosh, S. Mukherjee, B. Mukherjee, S. Mandal, R. Sharma, P. Chaudhury and S. Adhikari,
Beyond Born-Oppenheimer Theory for ab initio Constructed Diabatic Potential Energy Surfaces of Singlet H3+ to study Reaction Dynamics using Coupled 3D Time-Dependent Wave-Packet Approach,
Journal of Chemical Physics 147, 074105 (2017).

 

118. B. Mukherjee, S. Mukherjee, S. Sardar, K. R. Shamasundar and S. Adhikari,
An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radical,
Molecular Physics (invited article) 115, 2833 (2017).

 

117. S. Talukder, S. Adhikari and P. Chaudhury,
Selective bond dissociation of HOD molecule by optimally designed polychromatic IR+UV pulse: A Genetic Algorithm based study,
Molecular Physics (invited article) 115, 1786 (2017).

 

116. B. Mukherjee, S. Mukherjee, K. R. Shamasudar and S. Adhikari,
Beyond Born-Oppenheimer treatment for the construction of triple-sheeted accurate diabatic Hamiltonian matrix of F+H2 system,
Journal of Physics: Conference Series (invited article) 833, 012004 (2017).

 

115. S. Ghosh, R. Sharma, S. Adhikari and A. J. C. Varandas,
Coupled 3D Time-Dependent Quantum Wave-Packet Study of the O+OH Reaction in Hyperspherical Coordinates on the CHIPR Potential Energy Surface,
Chemical Physics Letters 675, 85 (2017).

 

114. B. Mukherjee, S. Mukherjee and S. Adhikari,
Ab initio non-adiabatic couplings among the three lowest singlet states of H3+: Construction of mutisheeted diabatic potential energy surfaces,
Journal of Physics: Conference Series (invited article) 759, 012050 (2016).

 

113. M. Baer, B. Mukherjee, S. Mukherjee and S. Adhikari,
Time-dependent Molecular Fields created by the interaction of an external electro-magnetic field with a molecular system: The derivation of the Wave Equations,
Molecular Physics 114, 227 (2016).

 

112. S. Mukherjee, B. Mukherjee, S. Sardar and S. Adhikari,
Ab initio Constructed Diabatic Surfaces of NO2 and the Photodetachment Spectra of its Anion,
Journal of Chemical Physics 143, 244307 (2015).

 

111. S. Ghosh, T. Sahoo and S. Adhikari, R. Sharma and A. J. C. Varandas,
Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D+ + H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface,
Journal of Physical Chemistry A 119, 12392 (2015).

 

110. S. Talukder , S. Sen , B. K. Shandilya , R. Sharma , S. Adhikari and P. Chaudhury,
Enhancing the branching ratios in the dissociation channels for O16O16O18 molecule by designing optimum laser pulses: A study using stochastic optimization,
Journal of Chemical Physics 143, 144109 (2015).

 

109. S. Mandal, T. Sahoo, S. Ghosh and S. Adhikari,
The effect of surface temperature on D2 (v=0,j=0) - Cu(111) system in polar coordinates,
Journal of Indian Chemical Society (invited article) 92, 291 (2015).

 

108. S. Mandal, T. Sahoo, S. Ghosh and S. Adhikari,
The Effect of Surface Temperature on H2/D2 (v=0, j=0) - Ni(100) Scattering Processes,
Molecular Physics 113, 3042 (2015).

 

107. S. Mandal, T. Sahoo, S. Ghosh and S. Adhikari,
The Effect of Phonon Modes and Electron-Hole Pair Couplings on Molecule Surface Scattering Processes,
Journal of Theoretical and Computational Chemistry 14, 1550028 (2015).

 

106. T. Sahoo, S. Ghosh, S. Adhikari, R. Sharma and A. J. C. Varandas,
Low temperature D+ + H2 Reaction: A time dependent coupled wave-packet study in hyperspherical coordinates,
Journal of Chemical Physics 142, 024304 (2015).

 

105. B. A. Khan, S. Sardar, P. Sarkar and S. Adhikari,
Multi-Surface Multi-Mode Molecular Dynamical Simulation of Naphthalene and Anthracene Radical Cations by Using Nearly Linear Scalable Time Dependent Discrete Variable Representation (TDDVR) Method,
The Journal of Physical Chemistry A 118, 11451 (2014).

 

104. S. Mukherjee, D. Mukhopadhyay and S. Adhikari,
Conical Intersections and Diabatic Potential Energy Surfaces for the Three Lowest Electronic Singlet States of H3+,
Journal of Chemical Physics 141, 204306 (2014).

 

103. B. K. Shandilya, M. Sarma, S. Adhikari and M. K. Mishra,
Selective Photo-dissociation of Bonds in O18O16O16 molecule, Advance in Laser Physics and Technology, Part-II: Laser Spectroscopy,
Chapter 4, Page 54, (2014)

 

102. A. Csehi, A. Bende, G. J. Halasz, A. Vivok, A. Das, D. Mukhopadhyay, S. Mukherjee, S. Adhikari and M. Baer,
Dressed adiabatic and diabatic potentials to study topological effects for F + H2,
The Journal of Physical Chemistry A 118, 6361 (2014).

 

101. T Sahoo, S Ghosh, S Adhikari, R Sharma and A J C Varandas,
Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State (1 1A')D+ + H2 Reaction,
The Journal of Physical Chemistry A 118, 4837 (2014).

 

100. S. Mukherjee and S. Adhikari,
The excited state of K3 cluster: The molecular symmetry adapted non-adaibatic coupling terms and the diabatic Hamiltonian Matrix,
Chemical Physics 440, 106 (2014).

 

99. S. Adhikari,
Introduction to the Special Issue on "ESDMC-2013: Electronic Structure and Dynamics of Molecules and Cluster",
The Journal of Physical Chemistry A 117, 8495 (2013).

 

98. S. Mukherjee and S. Adhikari,
Analytic description of diabatic Hamiltonian Matrix constructed from molecular symmetry adapted non-adiabatic coupling terms of the excited states of Na3 cluster,
ISRAPS Bulletin (invited article in Honour of Dr. Swapan K. Ghosh, BARC, India on his 65th Birthday ), 25, 107 (2013).

 

97. B K Shandilya, S Sen, T Sahoo, S Talukder,
P Chaudhury and S Adhikari, Selective bond breaking mediated by state specific vibrational excitation in realistic model HOD through optimized femtosecond IR pulse: A simulated annealing based approach,
The Journal of Chemical Physics 139, 034310 (2013).

 

96. S Mukherjee, S Bandyopadhyay, A K Paul and S Adhikari,
Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 cluster,
The Journal of Physical Chemistry A 117, 3475 (2013).

 

95. S Mukherjee, S Bandyopadhyay, A K Paul and S Adhikari,
The molecular symmetry adapted non-adiabatic coupling terms and diabatic Hamiltonian matrix,
Journal of Physics: Conference Series 428, 012008 (2013).

 

94. B A Khan, S Sardar, T Sahoo, P Sarkar and S Adhikari,
Nearly linear scalabilty of time dependent discrete variable representation (TDDVR) method for the dynamics of multi-surface multi-mode Hamiltonian,
Journal of Theoretical and Computational Chemistry 12, 1350042 (2013)

 

93. S Sardar, S Mukherjee, A K Paul and S Adhikari,
Conical intersections between X2A1 and A2B2 electronic states of NO2,
Chemical Physics 416, 11 (2013).

 

92. B K Shandilya, M Sarma, K S Vandana, S Adhikari and M K Mishra,
Selective Photodynamic Control of Bond Dissociation Using Optimal Initial Vibrational States, Concepts and Methods in Modern Theoretical Chemistry, Volume II: Statistical Mechanics,
pp 113-159 (2013).

 

91. A Csehi, A Bende, G J Halasz, A Vibok, A Das, D Mukhopadhyay, S Mukherjee, S Adhikari and M Baer,
Dressed Adiabatic and Diabatic Potentials for the Renner-Teller/Jahn-Teller F+H2 System,
The Journal of Physical Chemistry A 117, 8497 (2013).

 

90. S Adhikari and A J C Varandas,
The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates,
Computer Physics Communications 184, 270 (2013).

 

89. B K Shandilya, M Sarma, S Adhikari and M K Mishra,
Time dependent wave packet treatment of 2ΠgN2 and 3Σ NO shape resonances using two-dimensional surfaces for electron-N2 and NO interactions,
International Journal of Quantum Chemistry 113, 130 (2013).

 

88. T Sahoo, S Mukherjee and S Adhikari,
Surface temperature effect on the scattering of D2 (v=0, j=0)-Cu (111) system,
The Journal of Chemical Physics 136, 084306 (2012).

 

87. A Das, T Sahoo, D Mukhopadhyay, S Adhikari and M Baer,
Dressed adiabatic and diabatic potentials to study conical intersections for F+ H2,
The Journal of Chemical Physics 136, 054104 (2012).

 

86. A Das, D Mukhopadhyay, S Adhikari and M Baer,
The adiabatic-to-diabatic transformation angle and the Berry phase for coupled Jahn-Teller/Renner-Teller systems: The F+H2 as a case study,
International Journal of Quantum Chemistry 112, 2561 (2012).

 

85. S Sardar and S Adhikari,
A quantum-classical simulation of a multi-surface multi-mode nuclear dynamics on C6H6+ incorporating degeneracy among electronic states,
Journal of Chemical Sciences 124, 51 (2012).

 

84. B K Shandilya, M Sarma, S Adhikari and M K Mishra,
Vibrational excitation resulting from electron capture in LUMO of F2 and HCl - A treatment using the time-dependent wave packet approach,
Journal of Chemical Sciences 124, 141 (2012).

 

83. A K Paul, S Ray and S Adhikari,
Adiabatic to Diabatic Transformation and Nuclear Dynamics on Diabatic Hamiltonian Constructed by Using Ab Initio Potential Energy Surfaces and Non-adiabatic Coupling Terms for Excited States of Sodium Trimer,
Vibronic Interactions and the Jahn-Teller Effect, 281 (2012).

 

82. A Das, D Mukhopadhyay, S Adhikari and M Baer,
Diabatization of the reactive F+H2 system employing rigorous Berry phases,
The European Physical Journal D 65, 373-381 (2011).

 

81. A Das, D Mukhopadhyay, S Adhikari and M Baer,
Derivation of diabatic potentials for F+H2 employing non-adiabatic coupling terms,
Chemical Physics Letters 517, 92 (2011).

 

80. A K Paul, S Ray, D Mukhopadhyay and S Adhikari,
Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: Adiabatic to diabatic potential energy surfaces and nuclear dynamics,
The Journal of chemical physics 135, 034107 (2011).

 

79. T Sahoo, S Sardar and S Adhikari,
The effect of phonon modes on the D2 (v= 0, j= 0)-Cu (111) scattering processes,
Physica Scripta 84, 028105 (2011).

 

78. A K Paul, S Ray, D Mukhopadhyay and S Adhikari,
Conical intersections in 2^2E' states of Na3 cluster,
Chemical Physics Letters 508, 300 (2011).

 

77. T Sahoo, S Sardar, P Mondal, B Sarkar and S Adhikari,
Effect of Surface Modes on the Six-Dimensional Molecule-Surface Scattering Dynamics of H2-Cu (100) and D2-Cu (111) Systems,
The Journal of Physical Chemistry A 115, 5256 (2011).

 

76. S Sardar, P Puzari and S Adhikari,
Multi-state multi-mode nuclear dynamics on three isomers of C6H4F2+ using parallelized TDDVR approach,
Physical Chemistry Chemical Physics 13, 15960 (2011).

 

75. T Sahoo, S Sardar and S Adhikari,
The effect of phonon modes on the H2(v, j)/D2 (v, j)-Cu (1nn) scattering processes,
Physical Chemistry Chemical Physics 13, 10100 (2011).

 

74. A K Paul, S Adhikari and M Baer,
A treatise on the interaction of molecular systems with short-pulsed highly-intense external fields,
Physics Reports 496, 79-107 (2010).

 

73. S Sardar, P Puzari and S Adhikari,
The multistate multimode vibronically coupled nuclear dynamics of monofluorobenzene radical cation using a parallelized TDDVR approach,
Chemical Physics Letters 496, 341 (2010).

 

72. A Das, D Mukhopadhyay, S Adhikari and M Baer,
Renner-Teller intersections along the collinear axes of polyatomic molecules: HCN as a case study,
The Journal of chemical physics 133, 084107 (2010).

 

71. S Sardar, A K Paul and S Adhikari,
A quantum-classical simulation of the nuclear dynamics in NO2- and C6H6+ with realistic model Hamiltonian,
Journal of chemical sciences 122, 491 (2010).

 

70. S Sardar, A K Paul, R Sharma and S Adhikari,
A "classical" trajectory driven nuclear dynamics by a parallelized quantum-classical approach to a realistic model Hamiltonian of benzene radical cation,
International Journal of Quantum Chemistry 111, 2741 (2010).

 

69. A K Paul, S Adhikari, M Baer and R Baer,
H2+ photodissociation by an intense pulsed photonic Fock state,
Physical Review A 81, 013412 (2010).

 

68. A K Paul, S Adhikari and M Baer,
Space-time contours to treat intense field-dressed molecular states,
The Journal of chemical physics 132, 034303 (2010).

 

67. A K Paul, B Sarkar and S Adhikari, A parallelised quantum-classical approach to the molecular dynamics of allene (C3H4+) radical cation, Recent Advances in Spectroscopy, 63 (2010).

 

66. S Sardar, A K Paul and S Adhikari,
A parallelised quantum-classical approach to the molecular dynamics of allene (C3H4+) radical cation,
Molecular Physics 107, 2467 (2009).

 

65. A K Paul, S Sardar, B Sarkar and S Adhikari,
Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster,
The Journal of Chemical Physics 131, 124312 (2009).

 

64. M Sarma, S Adhikari and M K Mishra,
Laser assisted control of selective bond dissociation in HOD-some mechanistic insights,
Molecular Physics 107, 939 (2009).

 

63. S Sardar, A K Paul, R Sharma and S Adhikari,
The multistate multimode vibronic dynamics of benzene radical cation with a realistic model Hamiltonian using a parallelized algorithm of the quantumclassical approach,
The Journal of chemical physics 130, 144302 (2009).

 

62. A K Paul, S Adhikari, D Mukhopadhyay, G J Halasz, A Vibok, R Baer and M Baer,
Photodissociation of H2+ upon Exposure to an Intense Pulsed Photonic Fock State,
The Journal of Physical Chemistry A 113, 7331 (2009).

 

61. B Sarkar and S Adhikari,
A rigorous approach to the formulation of extended Born-Oppenheimer equation for a three-state system,
International Journal of Quantum Chemistry 109, 650 (2009).

 

60. M Sarma, S Adhikari and M K Mishra,
An Examination of the Expectation Value Profiles for Average Stretch and Momentum in O-H and O-D Bonds of the HOD Molecule to Determine Their Role in Selective Photodissociation,
The Journal of Physical Chemistry A 112, 13302 (2008).

 

59. S Sardar, A K Paul, P Mondal, B Sarkar and S Adhikari,
A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian,
Physical Chemistry Chemical Physics 10, 6388 (2008).

 

58. B Sarkar and S Adhikari,
Curl Condition for a Four-State Born-Oppenheimer System Employing the Mathieu Equation,
The Journal of Physical Chemistry A 112, 9868 (2008).

 

57. M Sarma, S Adhikari and M K Mishra,
Mechanistic investigation of vibrational fine structure in e-H2 scattering using local complex potential-based time dependent wave packet approach,
International Journal of Quantum Chemistry 108, 1044 (2008).

 

56. M Sarma, S Adhikari, S Deshpande, K Vandana and M K Mishra, Selective control of photodissociation in HOD, Chapter in Atoms and Molecules in Laser and External Fields, Editor-Man Mohan, pp 59-70, Alpha Science International Ltd., Oxford, UK (2008).

 

55. B Sarkar and S Adhikari, The Curl equations for an induced Renner-Teller type model, Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science 81, 925 (2007).

 

54. M Sarma, S Adhikari and M K Mishra,
Selective control of HOD photodissociation using CW lasers,
Journal of Chemical Sciences 119, 377 (2007).

 

53. R K Singh, M Sarma, A Jain, S Adhikari and M K Mishra,
Calculation of vibrational excitation cross-sections in resonant electron-molecule scattering using the time-dependent wave packet (TDWP) approach with application to the 2Π CO- shape resonance,
Journal of Chemical Sciences 119, 385 (2007).

 

52. M Sarma, S Adhikari and M K Mishra,
Selective photodissociation of O-H and O-D bonds from ground vibrational state of HOD using simple UV pulses,
The Journal of chemical physics 127, 024305 (2007).

 

51. B Sarkar, S Adhikari and M Baer,
Space-time contours to treat intense field-dressed molecular states. II. Applications,
The Journal of chemical physics 127, 014302 (2007).

 

50. B Sarkar, S Adhikari and M Baer,
Space-time contours to treat intense field-dressed molecular states. I. Theory,
The Journal of chemical physics 127, 014301 (2007).

 

49. B Sarkar, S Adhikari and M Baer,
Do intense electromagnetic fields annihilate/create conical intersections?,
The Journal of chemical physics 126, 014106 (2007).

 

48. A Saha, P Sarkar and S Adhikari,
Fourier grid Hamiltonian-based multidimensional Floquet propagator method for continuous, pulsed, and bichromatic laser field: Application to the multiphoton dissociation dynamics of HCN molecule,
International Journal of Quantum Chemistry 107, 1285 (2007).

 

47. M Sarma, S Adhikari and M K Mishra,
Simple systematization of vibrational excitation cross-section calculations for resonant electron-molecule scattering in the boomerang and impulse models,
The Journal of chemical physics 126, 044309 (2007).

 

46. S Adhikari, S Deshpande, M Sarma, V Kurkal and M K Mishra,
Selective control of photodissociation in deutereted water molecule HOD,
Radiation Physics and Chemistry 75, 2106-2118 (2006).

 

45. P Puzari, B Sarkar and S Adhikari,
A quantum-classical approach to the molecular dynamics of pyrazine with a realistic model Hamiltonian,
The Journal of chemical physics 125, 194316 (2006).

 

44. B Sarkar, D K S Bhadauria, N Verma and S Adhikari,
The effect of cluster environment on a chemical reaction,
Chemical physics 328, 338 (2006).

 

43. P Puzari, B Sarkar and S Adhikari,
Matrix representation of vector potential: DVR and TDDVR formulations and dynamics,
Chemical physics 324, 497 (2006).

 

42. M Sarma, S Adhikari and M K Mishra,
Selective control of HOD photodissociation using low quanta O-D excitation and field optimized initial state (FOIST) based combination of states and colors,
Chemical physics letters 420, 321 (2006).

 

41. B Sarkar and S Adhikari,
Extended Born-Oppenheimer equation for a three-state system,
The Journal of chemical physics 124, 074101 (2006).

 

40. P Puzari, R S Swathi, B Sarkar and S Adhikari,
A quantum-classical approach to the photoabsorption spectrum of pyrazine,
The Journal of chemical physics 123, 134317 (2005).

 

39. P Puzari, B Sarkar and S Adhikari,
Quantum dynamics of inelastic scattering with a moving grid,
International journal of quantum chemistry 105, 209 (2005).

 

38. P Puzari, B Sarkar and S Adhikari,
Quantum-classical dynamics of scattering processes in adiabatic and diabatic representations,
The Journal of chemical physics 121, 707 (2004).

 

37. P Puzari, S A Deshpande and S Adhikari,
A quantum-classical treatment of non-adiabatic transitions,
Chemical physics 300, 305 (2004).

 

36. P Puzari and S Adhikari,
Semi-classical formulation of time-dependent discrete variable representation method,
International journal of quantum chemistry 98, 434 (2004).

 

35. B Barkakaty and S Adhikari,
Time-dependent discrete variable representation method in a tunneling problem,
The Journal of chemical physics 118, 5302 (2003).

 

34. S Adhikari and G D Billing,
Non-Adiabatic Effects in Chemical Reactions: Extended Born-Oppenheimer Equations and its Applications,
Advances in Chemical Physics 124, 143 (2002).

 

33. S Adhikari and R Baer,
Augmented Lagrangian method for order-N electronic structure,
The Journal of chemical physics 115, 11 (2001).

 

32. S Adhikari and G D Billing,
The geometric phase effect in chemical reactions,
Chemical physics 259, 149 (2000).

 

31. S Adhikari, G D Billing, A Alijah, S H Lin and M Baer,
Extended approximated Born-Oppenheimer equation. II. Application,
Physical Review A 62, 032507 (2000).

 

30. M Baer, S H Lin, A Alijah, S Adhikari and G D Billing,
Extended approximated Born-Oppenheimer equation. I. Theory,
Physical Review A 62, 032506 (2000).

 

29. S Adhikari and G D Billing,
A time-dependent discrete variable representation method,
The Journal of chemical physics 113, 1409 (2000).

 

28. S Adhikari and G D Billing,
The time-dependent discrete variable representation method in molecular dynamics,
Chemical physics letters 321, 197 (2000).

 

27. S Adhikari and G D Billing,
Four-dimensional quantum and two-dimensional classical mechanical study of molecule-surface interactions,
The Journal of chemical physics 112, 3884 (2000).

 

26. S Adhikari and G D Billing,
The effect of a cluster on a chemical reaction: a quasiclassical trajectory study,
Chemical physics 250, 295 (1999).

 

25. S Adhikari and G D Billing,
The Gauss-Hermite basis set in a tunneling problem,
Chemical physics letters 309, 249 (1999).

 

24. S Adhikari and G D Billing,
The Hermite correction method for nonadiabatic transitions,
The Journal of chemical physics 111, 48 (1999).

 

23. S Adhikari and G D Billing,
The conical intersection effects and adiabatic single-surface approximations on scattering processes: A time-dependent wave packet approach,
The Journal of chemical physics 111, 40 (1999).

 

22. S Adhikari and G D Billing,
Hermite correction method in hyperspherical coordinates: Application to chemical reactions,
Chemical physics letters 305, 109 (1999).

 

21. S Adhikari and G D Billing,
Semiclassical reactive scattering: the Hermite correction method in hyperspherical coordinates,
Chemical physics 238, 69 (1998).

 

20. S Adhikari and G D Billing,
The geometric phase effect on differential cross sections in chemical reactions: a classical mechanical approach,
Chemical physics letters 289, 219 (1998).

 

19. S Adhikari and G D Billing,
A classical mechanical study of the geometric phase effect in chemical reactions,
Chemical physics letters 284, 31 (1998).

 

18. S Adhikari,
New propagator schemes for explicitly time-dependent hamiltonians: applications to the multiphoton dissociation dynamics of diatoms and quantum adiabatic processes,
Chemical physics 226, 25 (1998).

 

17. S Adhikari and G D Billing,
The geometric phase effect in chemical reactions: A quasiclassical trajectory study,
The Journal of chemical physics 107, 6213 (1997).

 

16. P Sarkar and S Adhikari,
Multidimensional propagator scheme for explicitly time-dependent Hamiltonians: applications to the multiphoton dissociation dynamics of the HCN molecule,
Chemical physics letters 277, 284 (1997).

 

15. P Sarkar, S Adhikari and S P Bhattacharyya,
A quantal entropy signature for the dynamics of pure states: Studies on some model problems,
Chemical physics 215, 309 (1997).

 

14. S Adhikari and S P Bhattacharyya,
A fast iterative route to the optimal angle of rotation in the complex coordinate rotation method: some model applications,
Chemical physics letters 265, 99 (1997).

 

13. S Adhikari,
New propagator schemes for explicitly time-dependent Hamiltonians: applications to the multiphoton dissociation dynamics of diatoms,
Chemical physics letters 262, 526 (1996).

 

12. S Adhikari, P Dutta and S P Bhattacharyya,
Adiabatic switching in time-dependent Fourier grid Hamiltonian method: some test cases,
Chemical physics 206, 315 (1996).

 

11. P Sarkar, S Adhikari and S P Bhattacharyya,
On the tunneling dynamics of a cubic oscillator with a time-dependent harmonic frequency,
Chemical physics letters 252, 189 (1996).

 

10. S Adhikari, P Dutta and S P Bhattacharyya,
Dynamics of vibrationally assisted tunnelling in model multidimensional systems. Three routes involving the Fourier grid Hamiltonian method,
Journal of Molecular Structure: THEOCHEM 361, 93 (1996).

 

9. S Adhikari, S P Bhattacharyya and P Dutta,
Stability of localized quantum states on the top of a barrier and some of its consequences: the specific case of a symmetric double well potential,
Chemical physics letters 248, 218 (1996).

 

8. S Adhikari, D N Nath and S P Bhattacharyya,
Generalized Rabi oscillations in a three-level metastable system under periodic and quasiperiodic perturbations,
International journal of quantum chemistry 58, 3 (1996).

 

7. S Adhikari, P Dutta and S P Bhattacharyya,
Applications of a local grid method for modeling chemical dynamics at a mean-field level,
International journal of quantum chemistry 59, 109 (1996).

 

6. P Sarkar, S Adhikari and S P Bhattacharyya,
The dynamics of a harmonic oscillator with time-dependent force constant and perturbed by weak quartic anharmonicity,
Chemical physics letters 227, 187 (1994).

 

5. S Adhikari and S P Bhattacharyya,
Time-dependent Fourier grid Hamiltonian method for modelling real-time quantum dynamics: Theoretical models and applications,
Proceedings of the Indian Academy of Sciences-Chemical Sciences 106, 553 (1994).

 

4. P Dutta, S Adhikari and S P Bhattacharyya,
Fourier grid Hamiltonian method for bound states of multidimensional systems: Formulation and preliminary applications to model systems,
Chemical physics letters 212, 677 (1993).

 

3. S Adhikari, S P Bhattacharyya and D M Bhattacharyya,
Decay dynamics of a metastable state in a time-varying electric field: A three-level prototypical system,
International journal of quantum chemistry 47, 213 (1993).

 

2. S Adhikari and S P Bhattacharyya,
Dissociation dynamics of a model diatomic species in an intense pulsed laser field: a time dependent Fourier grid Hamiltonian approach,
Physics letters A 172, 155 (1992).

 

1. S Adhikari, P Dutta and S P Bhattacharyya,
A time-dependent Fourier grid Hamiltonian method. Formulation and application to the multiphoton dissociation of a diatomic molecule in intense laser field,
Chemical physics letters 199, 574 (1992).

 

 

 


Teaching

PhD Courses at IACS:

  • CH 522/PhD Coursework: Advanced Quantum Mechanics

 

IntPCS Courses at IACS:

  • CHS 4101 / MAS 4101C / AIS 4103: Quantum Mechanics
  • CHS 4104 / MAS 4104C: Mathematics for Chemists

 

UG Courses at IACS:

  • CHS 2203: Thermodynamics, Kinetics and Catalysis

 

Advanced Courses for BS-MS/IntPhD/PhD at IISER Kolkata:

  • Beyond Born-Oppenheimer Theory and its applications
  • Quantum Reaction Dynamics
  • Molecule-Surface Scattering


Department


Honors/Awards

Awards

2013      Professor D. Nasipuri Memorial Award, Indian Chemical Society.

2017      Chemical Research Society of India (CRSI) Bronze Medal.

 

Fellowship

2019      Fellow, National Academy of Sciences, India

 

Editorial assignment

Guest Editor: Journal of Physical Chemistry A: A special issue

(Volume 117, Issue 36, Pages 8495-8996) on

"Structure and Dynamics: Born-Oppenheimer Theories and Applications,

Reaction Dynamics and Molecule-Surface Scattering", 2013

 

Conference organized

Convenor of the International Conference on -

"Electronic Structure and Dynamics of Molecules and Clusters"

Indian Association for the Cultivation of Science, Kolkata,

17th-20th February, 2013.

 

Co-Convener of the National Conference on -

"Nonequilibrium Statistical Physics and Nonlinear Dynamics - 2014"

Indian Association for the Cultivation of Science, Kolkata,

2nd-4th January, 2014.

 

Convenor of the National Conference on -

"Perspective in Teaching & Research in Physical Chemistry - 2015"

Indian Association for the Cultivation of Science, Kolkata,

21st-22nd August, 2015.

 

Joint Convenor of the International Conference on -

"Recent Advances in Many-Electron Theory"

Hotel Bogmallo Beach Resort, Goa, India

9th-12th February, 2017.

 

Joint Convenor of the International Conference on -

"SPECTROSCOPY AND DYNAMICS OF MOLECULES AND CLUSTERS 2018"

Sinclairs Retreat, Dooars, India

15th-18th February, 2018.

 

Joint Convenor of the National Conference on -

"Electronic Structure, Spectroscopy and Dynamics (IACS-CESSD-2018)"

Indian Association for the Cultivation of Science, Kolkata,

22nd-25th February, 2018.


Alumni

Former Post-Doc. Fellows:

(1) Dr. Srijeeta Talukder (Assistant Professor, Adamas University, Kolkata)
(2) Dr. Satyam Ravi (Assistant Professor, VIT Bhopal)
 
 
Former Graduate Fellows:
(1) Dr. Panchanan Puzari (Assistant Professor, Tezpur University)
(2) Dr. Manabendra Sarma (Associate Professor, IITG)
(3) Dr. Biplab Sarkar (Assistant Professor, NEHU)
(4) Dr. Amit Kumar Paul (Assistant Professor, NIT Meghalaya)
(5) Dr. Subhankar Sardar (Assistant Professor, Bhatter Cellege, Dantan, West Bengal)
(6) Dr. Bhavesh Kumar Shandilya (Academia Sinica, Taiwan)
(7) Dr. Tapas Sahoo (Post Doctoral Fellow, University of Waterloo, Canada)
(8) Dr. Saikat Mukherjee (Post Doctoral Fellow, Aix-Marseille University, France)
(9) Dr. Souvik Mandal (Post Doctoral Fellow, University de Lorraine, France)
(10) Dr. Bijit Mukherjee (Post Doctoral Fellow, Durham University, UK)
(11) Dr. Sandip Ghosh (Research Associate, IISER Kolkata)
(12) Dr. Joy Dutta (Research Associate, IACS Kolkata)
(13) Dr. Soumya Mukherjee (Research Associate, IACS Kolkata)
 
 
Former M.Sc./ B.Tech Project Students:
(1) Ms. Balaka Barkakaty (IITG)
(2) Ms. R. S. Swathi (IITG)
(3) Mr. Deepak K. S. Bhadauria (IITG)
(4) Mr. Nitin Verma (IITG)
(5) Ms. Padmabati Mondal (IACS)
(6) Mr. Nitai Giri (IACS)
(7) Mr. Bijit Mukherjee (IACS)
(8) Mr. Joy Dutta (IACS)
(9) Ms. Shruti Sharma (Gauhati University)
(10) Ms. Maitreyi Devi (Gauhati University)
(11) Ms. Moumita Seal (Lady Brabourne College, University of Calcutta)
(12) Mr. Avik Kumar Ojha (IACS)
 
 
Former Summer Project Students:
(1) Mr. Shiladitya Banerjee
(2) Master Rajib
(3) Mr. Atanu Acharya (IIT Madras)
(4) Ms. Tuseeta Banerjee (IIT Bombay)
(5) Mr. Sudip Sasmal (IIT Madras)
(6) Mr. Premashis Manna (IIT Kanpur)
(7) Mr. Rahul Sharma (IIT Roorkee)
(8) Mr. Nirmalendu Kaunar (Delhi University)
(9) Ms. Dayeeta Saha (University of Hyderabad)
(10) Ms. Priya Das (Presidency University)
(11) Mr. Rabindranath Paul (University of Hyderabad)
(12) Mr. Siddhartha Poddar (IISER Bhopal)
(13) Mr. Somnath Sengupta (Presidency University)
(14) Mr. Harish Gudla (IISER Thiruvananthapuram)
(15) Mr. Arnab Chakraborty (IIT Kanpur)
(16) Ms. Aarti Sindhu (IIT Jodhpur)
(17) Mr. Anees Mohammed K.P. (IISER Thiruvananthapuram)
(18) Ms. Sagnika Mohanty (Pondicherry University)
(19) Mr. Samiran Banu (IIT Madras)
(20) Ms. Sujata Nandi (IISER Berhampur)
(21) Mr. Ankurjyoti Koch (IISER Kolkata)
(22) Mr. Vivek Das (IISER Kolkata)
(23) Mr. Aniruddha Seal (NISER Bhubaneswar)
(24) Ms. Sujata Bais (Ravishankar Shukla University, Raipur)
(25) Mr. Jitu Mullick (IIT Kanpur)