Citations (21)
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Bijit Mukherjee, Koushik Naskar, Soumya Mukherjee, Sandip Ghosh, Tapas Sahoo & Satrajit Adhikari. (2019) Beyond Born–Oppenheimer theory for spectroscopic and scattering processes. International Reviews in Physical Chemistry 38:3-4, pages 287-341.
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Articles from other publishers (20)
Li Liu, Xuedan Jiang, Yang Peng & Hua Zhu. (2024) A new ab initio potential energy surface and rovibrational spectra for the N2–N2O complex. Chemical Physics 582, pages 112272.
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Mantu Kumar Sah, Soumya Mukherjee, Swagato Saha, Koushik Naskar & Satrajit Adhikari. (2023) Photoelectron spectra of benzene: Can path dependent diabatic surfaces provide unique observables?. The Journal of Chemical Physics 159:24.
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Sedigheh Pourestarabadi & Maryam Dehestani. (2023)
Non-adiabatic coupling in the potential energy surfaces of SO
2
molecule
. Physical Chemistry Chemical Physics 25:36, pages 24526-24538.
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Kazuma Suzuki, Manabu Kanno, Shiro Koseki & Hirohiko Kono. (2023) A Structure-Based Gaussian Expansion for Quantum Reaction Dynamics in Molecules: Application to Hydrogen Tunneling in Malonaldehyde. The Journal of Physical Chemistry A 127:18, pages 4152-4165.
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Saikat Hazra, Soumya Mukherjee, Satyam Ravi, Subhankar Sardar & Satrajit Adhikari. (2022)
Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C
4
N
2
H
4
)
. ChemPhysChem 23:23.
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Joy Dutta, Koushik Naskar, Satrajit Adhikari, Jörg Meyer & Mark F. Somers. (2022) Effect of surface temperature on quantum dynamics of D2 on Cu(111) using a chemically accurate potential energy surface. The Journal of Chemical Physics 157:19.
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Souvik Mandal, Fabien Gatti, Oussama Bindech, Roberto Marquardt & Jean Christophe Tremblay. (2022) Stochastic multi-configuration time-dependent Hartree for dissipative quantum dynamics with strong intramolecular coupling. The Journal of Chemical Physics 157:14.
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Koushik Naskar, Sandip Ghosh & Satrajit Adhikari. (2022)
Accurate Calculation of Rate Constant and Isotope Effect for the F + H
2
Reaction by the Coupled 3D Time-Dependent Wave Packet Method on the Newly Constructed
Ab Initio
Ground Potential Energy Surface
. The Journal of Physical Chemistry A 126:21, pages 3311-3328.
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Joy Dutta, Satyam Ravi, Soumya Mukherjee, Avik Kumar Ojha & Satrajit Adhikari. (2022)
Jahn–Teller Effect in Orthorhombic Manganites:
Ab Initio
Hamiltonian and Roto-vibrational Spectrum
. The Journal of Physical Chemistry A 126:5, pages 691-709.
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Soumya Mukherjee, Satyam Ravi, Joy Dutta, Subhankar Sardar & Satrajit Adhikari. (2022)
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
. Physical Chemistry Chemical Physics 24:4, pages 2185-2202.
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Joy Dutta, Souvik Mandal & Satrajit Adhikari. (2022) Formulation of temperature dependent effective Hartree potential incorporating quadratic over linear molecular DOFs-surface modes couplings and its effect on quantum dynamics of D2 (v = 0, j = 0)/D2 (v = 0, j = 2) on Cu(111) metal surface. Chemical Physics 552, pages 111371.
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Sandip Ghosh, Rahul Sharma, Satrajit Adhikari & António J. C. Varandas. (2021)
Dynamical calculations of O(
3
P) + OH(
2
Π) reaction on the CHIPR potential energy surface using the fully coupled time-dependent wave-packet approach in hyperspherical coordinates
. Physical Chemistry Chemical Physics 23:38, pages 21784-21796.
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Narayanasami Sathyamurthy & Susanta Mahapatra. (2021) Time-dependent quantum mechanical wave packet dynamics. Physical Chemistry Chemical Physics 23:13, pages 7586-7614.
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Joy Dutta, Souvik Mandal, Satrajit Adhikari, Paul Spiering, Jörg Meyer & Mark F. Somers. (2021) Effect of surface temperature on quantum dynamics of H2 on Cu(111) using a chemically accurate potential energy surface. The Journal of Chemical Physics 154:10.
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Soumya Mukherjee, Satyam Ravi, Koushik Naskar, Subhankar Sardar & Satrajit Adhikari. (2021) A beyond Born–Oppenheimer treatment of C6H6+ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation. The Journal of Chemical Physics 154:9.
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Jun Xie & Weidong Sheng. (2021) Disintegration of excitons in π-conjugated molecules. Physical Chemistry Chemical Physics 23:2, pages 1172-1177.
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Joy Dutta, Soumya Mukherjee, Koushik Naskar, Sandip Ghosh, Bijit Mukherjee, Satyam Ravi & Satrajit Adhikari. (2020) The role of electron–nuclear coupling on multi-state photoelectron spectra, scattering processes and phase transitions. Physical Chemistry Chemical Physics 22:47, pages 27496-27524.
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Subhankar Sardar. (2020) A comparative multi-state multi-dimensional quantum-classical dynamics on compact polycyclic aromatic hydrocarbons (CPAHs) by parallel TDDVR method. Computational and Theoretical Chemistry 1191, pages 113032.
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Su‐Hua Jing, Bin‐Bin Wang, Xiao‐Yun Zhou & Ti‐Xian Zeng. (2020)
Comparative study of the photoassociation reaction of He +
X
+
→ He
X
+
(
X
= H, D): Including multiphoton transitions and dissociations
. International Journal of Quantum Chemistry 120:12.
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Seonghoon Choi & Jiří Vaníček. (2019) A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid. The Journal of Chemical Physics 151:23.
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