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
65 2022 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
61 2017 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
58 2013 Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of S Mukherjee, D Mukhopadhyay, S Adhikari
The Journal of Chemical Physics 141 (20), 2014
55 2014 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
34 2020 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
29 2022 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
29 2015 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
27 2018 Modeling spin-crossover dynamics S Mukherjee, DA Fedorov, SA Varganov
Annual Review of Physical Chemistry 72 (1), 515-540, 2021
26 2021 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
23 2022 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
23 2014 Recommendations for velocity adjustment in surface hopping JM Toldo, RS Mattos, M Pinheiro Jr, S Mukherjee, M Barbatti
Journal of Chemical Theory and Computation 20 (2), 614-624, 2024
22 2024 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
22 2017 Conical intersections between X2A1 and A2B2 electronic states of NO2 S Sardar, S Mukherjee, AK Paul, S Adhikari
Chemical Physics 416, 11-20, 2013
21 2013 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
19 2022 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
14 2016 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
13 2014 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
13 2012 Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods S Mukherjee, RS Mattos, JM Toldo, H Lischka, M Barbatti
The Journal of Chemical Physics 160 (15), 2024
12 2024 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
9 2021 
Bijit MukherjeePostdoctoral Research Associate at University of WarsawEmail được xác minh tại fuw.edu.pl
