Items where Author is "Sardar, Subhankar"

Article

Hazra, Saikat ; Mukherjee, Soumya ; Ravi, Satyam ; Sardar, Subhankar ; Adhikari, Satrajit (2022) Construction of Beyond Born‐Oppenheimer Based Diabatic Surfaces and Generation of Photoabsorption Spectra: The Touchstone Pyrazine (C₄N₂H₄) ChemPhysChem, 23 (23). ISSN 1439-4235

Mukherjee, Soumya ; Ravi, Satyam ; Naskar, Koushik ; Sardar, Subhankar ; Adhikari, Satrajit (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). ISSN 0021-9606

Naskar, Koushik ; Mukherjee, Soumya ; Mukherjee, Bijit ; Ravi, Satyam ; Mukherjee, Saikat ; Sardar, Subhankar ; Adhikari, Satrajit (2020) ADT: A Generalized Algorithm and Program for Beyond Born-Oppenheimer Equations of "N" Dimensional Sub-Hilbert Space Journal of Chemical Theory and Computation, 16 (3). pp. 1666-1680. ISSN 1549-9618

Mukherjee, Soumya ; Mukherjee, Bijit ; Sardar, Subhankar ; Adhikari, Satrajit (2019) 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 . pp. 57-67. ISSN 2210271X

Mukherjee, Soumya ; Dutta, Joy ; Mukherjee, Bijit ; Sardar, Subhankar ; Adhikari, Satrajit (2019) Conical intersections and nonadiabatic coupling terms in 1,3,5-C₆H₃F₃⁺ : A six state beyond Born-Oppenheimer treatment The Journal of Chemical Physics, 150 (6). ISSN 0021-9606

Mandal, Souvik ; Ghosh, Sandip ; Sardar, Subhankar ; Adhikari, Satrajit (2018) The TDDVR approach for molecular photoexcitation, molecule–surface and triatomic reactive scattering processes International Reviews in Physical Chemistry, 37 (3-4). pp. 607-700. ISSN 0144-235X

Mukherjee, Bijit ; Mukherjee, Saikat ; Sardar, Subhankar ; Shamasundar, K.R. ; Adhikari, Satrajit (2018) A beyond Born-Oppenheimer treatment of five state molecular system NO₃ and the photodetachment spectra of its anion Chemical Physics, 515 . pp. 350-359. ISSN 0301-0104

Mukherjee, Soumya ; Mukherjee, Bijit ; Dutta, Joy ; Sardar, Subhankar ; Adhikari, Satrajit (2018) Topological effects in vibronically coupled degenerate electronic states: a case study on nitrate and benzene radical cation ACS Omega, 3 (10). pp. 12465-12475. ISSN 2470-1343

Mukherjee, Bijit ; Mukherjee, Saikat ; Sardar, Subhankar ; Shamasundar, K. R. ; Adhikari, Satrajit (2017) An ab initio investigation of non-adiabatic couplings and conical intersections among the lowest five electronic states of the NO₃ radical Molecular Physics, 115 (21-22). pp. 2833-2848. ISSN 0026-8976

Mukherjee, Saikat ; Mukherjee, Bijit ; Sardar, Subhankar ; Adhikari, Satrajit (2015) Ab initio constructed diabatic surfaces of NO₂ and the photodetachment spectra of its anion The Journal of Chemical Physics, 143 (24). ISSN 0021-9606

Khan, Basir Ahamed ; Sardar, Subhankar ; Sarkar, Pranab ; Adhikari, Satrajit (2014) Multisurface multimode molecular dynamical simulation of naphthalene and anthracene radical cations by using nearly linear scalable time-dependent discrete variable Representation Method The Journal of Physical Chemistry A, 118 (49). pp. 11451-11470. ISSN 1089-5639

Sardar, Subhankar ; Mukherjee, Saikat ; Paul, Amit Kumar ; Adhikari, Satrajit (2013) Conical intersections between X²A₁ and A²B₂ electronic states of NO₂ Chemical Physics, 416 . pp. 11-20. ISSN 0301-0104

Khan, Basir Ahamed ; Sardar, Subhankar ; Sahoo, Tapa S ; Sarkar, Pranab ; Adhikari, Satrajit (2013) Nearly linear scalability of time-dependent discrete variable representation (TDDVR) method for the dynamics of multi-surface multi-mode hamiltonian Journal of Theoretical and Computational Chemistry, 12 (05). ISSN 0219-6336

Sardar, Subhankar ; Puzari, Panchanan ; Adhikari, Satrajit (2011) Multi-state multi-mode nuclear dynamics on three isomers of C₆H₄F⁺₂ using parallelized TDDVR approach Physical Chemistry Chemical Physics, 13 (35). pp. 15960-15972. ISSN 1463-9076

Sahoo, Tapas ; Sardar, Subhankar ; Adhikari, Satrajit (2011) The effect of phonon modes on the D₂(v=0,j=0)–Cu(111) scattering processes Physica Scripta, 84 (2). 028105. ISSN 0031-8949

Sardar, Subhankar ; Paul, Amit Kumar ; Sharma, Rahul ; Adhikari, Satrajit (2011) 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 (12). pp. 2741-2759. ISSN 0020-7608

Sardar, Subhankar ; Paul, Amit Kumar ; Sharma, Rahul ; Adhikari, Satrajit (2011) 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 (12). pp. 2741-2759. ISSN 0020-7608

Sahoo, Tapas ; Sardar, Subhankar ; Mondal, Padmabati ; Sarkar, Biplab ; Adhikari, Satrajit (2011) Effect of surface nodes on the six-dimensional molecule–surface scattering dynamics of H₂–Cu(100) and D₂–Cu(111) systems The Journal of Physical Chemistry A, 115 (21). pp. 5256-5273. ISSN 1089-5639

Sahoo, Tapas ; Sardar, Subhankar ; Adhikari, Satrajit (2011) The effect of phonon modes on the H₂(v, j)/D₂(v, j)–Cu(1nn) scattering processes Physical Chemistry Chemical Physics, 13 (21). pp. 10100-10110. ISSN 1463-9076

Sardar, Subhankar ; Paul, Amit Kumar ; Adhikari, Satrajit (2010) A quantum-classical simulation of the nuclear dynamics in NO^-₂ and C₆H⁺₆ with realistic model Hamiltonian Journal of Chemical Sciences, 122 (4). pp. 491-510. ISSN 0974-3626

Sardar, Subhankar ; Puzari, Panchanan ; Adhikari, Satrajit (2010) The multistate multimode vibronically coupled nuclear dynamics of monofluorobenzene radical cation using a parallelized TDDVR approach Chemical Physics Letters, 496 (4-6). pp. 341-346. ISSN 0009-2614

Sardar, Subhankar ; Paul, Amit Kumar ; Adhikari, Satrajit (2009) A parallelised quantum-classical approach to the molecular dynamics of allene (C₃H_m4^m+) radical cation Molecular Physics, 107 (23-24). pp. 2467-2479. ISSN 0026-8976

Kumar Paul, Amit ; Sardar, Subhankar ; Sarkar, Biplab ; Adhikari, Satrajit (2009) Single surface beyond Born–Oppenheimer equation for a three-state model Hamiltonian of Na₃ cluster The Journal of Chemical Physics, 131 (12). ISSN 0021-9606

Sardar, Subhankar ; Paul, Amit Kumar ; Sharma, Rahul ; Adhikari, Satrajit (2009) 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 (14). ISSN 0021-9606

Sardar, Subhankar ; Paul, Amit Kumar ; Mondal, Padmabati ; Sarkar, Biplab ; Adhikari, Satrajit (2008) A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian Physical Chemistry Chemical Physics, 10 (42). pp. 6388-6398. ISSN 1463-9076