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Soumya Mukherjee
Soumya Mukherjee
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Beyond Born–Oppenheimer theory for spectroscopic and scattering processes
B Mukherjee, K Naskar, S Mukherjee, S Ghosh, T Sahoo, S Adhikari
International Reviews in Physical Chemistry 38 (3-4), 287-341, 2019
412019
ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “N” Dimensional Sub-Hilbert Space
K Naskar, S Mukherjee, B Mukherjee, S Ravi, S Mukherjee, S Sardar, ...
Journal of Chemical Theory and Computation 16 (3), 1666-1680, 2020
262020
Conical intersections and nonadiabatic coupling terms in 1, 3, 5-C6H3F3+: A six state beyond Born-Oppenheimer treatment
S Mukherjee, J Dutta, B Mukherjee, S Sardar, S Adhikari
The Journal of Chemical Physics 150 (6), 2019
202019
Five Electronic State Beyond Born–Oppenheimer Equations and Their Applications to Nitrate and Benzene Radical Cation
S Mukherjee, B Mukherjee, S Adhikari
The Journal of Physical Chemistry A 121 (33), 6314-6326, 2017
202017
The role of electron–nuclear coupling on multi-state photoelectron spectra, scattering processes and phase transitions
J Dutta, S Mukherjee, K Naskar, S Ghosh, B Mukherjee, S Ravi, ...
Physical Chemistry Chemical Physics 22 (47), 27496-27524, 2020
172020
Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F+ H2 reaction
B Mukherjee, K Naskar, S Mukherjee, S Ravi, KR Shamasundar, ...
The Journal of Chemical Physics 153 (17), 2020
142020
A beyond Born–Oppenheimer treatment of C6H6+ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation
S Mukherjee, S Ravi, K Naskar, S Sardar, S Adhikari
The Journal of Chemical Physics 154 (9), 2021
132021
Extended Born-Oppenheimer equations for non-Abelian situations: A study on NO3 radical and 1, 3, 5-C6H3F3+ radical cation
S Mukherjee, B Mukherjee, S Sardar, S Adhikari
Computational and Theoretical Chemistry 1154, 57-67, 2019
102019
Topological Effects in Vibronically Coupled Degenerate Electronic States: A Case Study on Nitrate and Benzene Radical Cation
S Mukherjee, B Mukherjee, J Dutta, S Sardar, S Adhikari
ACS omega 3 (10), 12465-12475, 2018
92018
Beyond Born–Oppenheimer based diabatic surfaces of 1, 3, 5-C 6 H 3 F 3+ to generate the photoelectron spectra using time-dependent discrete variable representation approach
S Mukherjee, S Ravi, J Dutta, S Sardar, S Adhikari
Physical Chemistry Chemical Physics 24 (4), 2185-2202, 2022
72022
Non-adiabatic coupling as a frictional force in (He, H, H)+ dynamics and the formation of HeH2+
S Ravi, S Mukherjee, B Mukherjee, S Adhikari, N Sathyamurthy, M Baer
Molecular Physics 119 (4), e1811907, 2021
72021
Non-adiabatic coupling and conical intersection(s) between potential energy surfaces for HeH2+
AK Gupta, V Dhindhwal, M Baer, N Sathyamurthy, S Ravi, S Mukherjee, ...
Molecular Physics 118 (12), e1683243, 2020
72020
Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C4N2H4)
S Hazra, S Mukherjee, S Ravi, S Sardar, S Adhikari
ChemPhysChem 23 (23), e202200482, 2022
52022
Jahn–Teller Effect in Orthorhombic Manganites: Ab Initio Hamiltonian and Roto-vibrational Spectrum
J Dutta, S Ravi, S Mukherjee, AK Ojha, S Adhikari
The Journal of Physical Chemistry A 126 (5), 691-709, 2022
42022
Non-adiabatic coupling as a frictional force in the formation of H3+: a model dynamical study
S Ravi, S Mukherjee, B Mukherjee, S Adhikari, N Sathyamurthy, M Baer
The European Physical Journal D 74, 1-13, 2020
42020
Trajectory surface hopping vs. quantum scattering calculations on D++ H2 and H+ H2+ reactions using ab initio surfaces and couplings
S Mukherjee, S Hazra, S Ghosh, S Mukherjee, S Adhikari
Chemical Physics 560, 111588, 2022
32022
Topological Studies related to Molecular Systems formed soon after the Big Bang: HeH2+ as the Precursor for HeH+
N Sathyamurthy, M Baer, S Ravi, S Mukherjee, B Mukherjee, S Adhikari
arXiv preprint arXiv:1912.11076, 2019
2019
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