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Saikat Mukherjee
Saikat Mukherjee
Postdoctoral Research Fellow, Institut de Chimie Radicalaire, Aix-Marseille University, France
Verified email at univ-amu.fr
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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 …
S Ghosh, S Mukherjee, B Mukherjee, S Mandal, R Sharma, P Chaudhury, ...
The Journal of Chemical Physics 147 (7), 2017
542017
Construction of diabatic Hamiltonian matrix from ab initio calculated molecular symmetry adapted nonadiabatic coupling terms and nuclear dynamics for the excited states of Na3 …
S Mukherjee, S Bandyopadhyay, AK Paul, S Adhikari
The Journal of Physical Chemistry A 117 (16), 3475-3495, 2013
532013
Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of H3+
S Mukherjee, D Mukhopadhyay, S Adhikari
The Journal of Chemical Physics 141 (20), 2014
512014
Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion
S Mukherjee, B Mukherjee, S Sardar, S Adhikari
The Journal of Chemical Physics 143 (24), 2015
272015
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
A beyond Born-Oppenheimer treatment of five state molecular system NO3 and the photodetachment spectra of its anion
B Mukherjee, S Mukherjee, S Sardar, KR Shamasundar, S Adhikari
Chemical Physics 515, 350-359, 2018
252018
The excited states of K3 cluster: The molecular symmetry adapted non-adiabatic coupling terms and diabatic Hamiltonian matrix
S Mukherjee, S Adhikari
Chemical Physics 440, 106-118, 2014
222014
Newton-X platform: new software developments for surface hopping and nuclear ensembles
M Barbatti, M Bondanza, R Crespo-Otero, B Demoulin, PO Dral, ...
Journal of Chemical Theory and Computation 18 (11), 6851-6865, 2022
202022
Modeling spin-crossover dynamics
S Mukherjee, DA Fedorov, SA Varganov
Annual review of physical chemistry 72, 515-540, 2021
202021
An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO3 radical
B Mukherjee, S Mukherjee, S Sardar, KR Shamasundar, S Adhikari
Molecular Physics 115 (21-22), 2833-2848, 2017
192017
Conical intersections between X2A1 and A2B2 electronic states of NO2
S Sardar, S Mukherjee, AK Paul, S Adhikari
Chemical Physics 416, 11-20, 2013
192013
Simulations of molecular photodynamics in long timescales
S Mukherjee, M Pinheiro Jr, B Demoulin, M Barbatti
Philosophical Transactions of The Royal Society A 380 (2223), 20200382, 2022
162022
Dressed Adiabatic and Diabatic Potentials To Study Topological Effects for F + H2
A Csehi, A Bende, GJ Halász, Á Vibók, A Das, D Mukhopadhyay, ...
The Journal of Physical Chemistry A 118 (33), 6361-6366, 2014
132014
Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states
G Braun, I Borges, AJA Aquino, H Lischka, F Plasser, SA Do Monte, ...
The Journal of Chemical Physics 157 (15), 2022
122022
Surface temperature effect on the scattering of D2 (v= 0, j= 0)-Cu (111) system
T Sahoo, S Mukherjee, S Adhikari
The Journal of Chemical Physics 136 (8), 2012
122012
Ab-initio non-adiabatic couplings among three lowest singlet states of H3+: Construction of multisheeted diabatic potential energy surfaces
B Mukherjee, S Mukherjee, S Adhikari
Journal of Physics: Conference Series 759 (1), 012050, 2016
112016
A hessian-free method to prevent zero-point energy leakage in classical trajectories
S Mukherjee, M Barbatti
Journal of Chemical Theory and Computation 18 (7), 4109-4116, 2022
102022
Dressed Adiabatic and Diabatic Potentials for the Renner–Teller/Jahn–Teller F + H2 System
A Csehi, A Bende, GJ Halász, A Vibók, A Das, D Mukhopadhyay, ...
The Journal of Physical Chemistry A 117 (36), 8497-8505, 2013
92013
Beyond Born-Oppenheimer treatment for the construction of triple-sheeted accurate diabatic Hamiltonian matrix of F+ H2 system
B Mukherjee, S Mukherjee, KR Shamasundar, S Adhikari
Journal of Physics: Conference Series 833 (1), 012004, 2017
72017
Intersystem crossing and internal conversion dynamics with GAIMS-TeraChem: Excited state relaxation in 2-cyclopentenone
S Mukherjee, SA Varganov
The Journal of Chemical Physics 155 (17), 2021
62021
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