Items where Author is "Shamasundar, K. R."

Article

Mukherjee, Bijit ; Naskar, Koushik ; Mukherjee, Soumya ; Ravi, Satyam ; Shamasundar, K. R. ; Mukhopadhyay, Debasis ; Adhikari, Satrajit (2020) Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F + H₂ reaction The Journal of Chemical Physics, 153 (17). ISSN 0021-9606

Mukherjee, Bijit ; Shamasundar, K. R. ; Adhikari, Satrajit ; Baer, Michael (2019) Topological studies related to molecular systems formed during the Big Bang: H₃⁺ as an example International Journal of Quantum Chemistry, 119 (16). e25949. ISSN 0020-7608

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, Bijit ; Mukherjee, Saikat ; Shamasundar, K. R. ; Adhikari, Satrajit (2017) Beyond Born-Oppenheimer treatment for the construction of triple-sheeted accurate diabatic Hamiltonian matrix of F+H₂ system Journal of Physics: Conference Series, 833 . ISSN 1742-6588

Eliav, Ephraim ; Borschevsky, Anastasia ; Shamasundar, K. R. ; Pal, Sourav ; Kaldor, Uzi (2009) Intermediate Hamiltonian Hilbert space coupled cluster method: theory and pilot application International Journal of Quantum Chemistry, 109 (13). pp. 2909-2915. ISSN 0020-7608

Nooijen, Marcel ; Shamasundar, K. R. ; Mukherjee, Debashis (2005) Reflections on size-extensivity, size-consistency and generalized extensivity in many-body theory Molecular Physics, 103 (15&16). pp. 2277-2298. ISSN 0026-8976

Shamasundar, K. R. ; Asokan, Subashini ; Pal, Sourav (2004) A constrained variational approach for energy derivatives in Fock-space multireference coupled-cluster theory Journal of Chemical Physics, 120 (14). pp. 6381-6398. ISSN 0021-9606

Shamasundar, K. R. ; Arunan, E. (2001) Chlorofluoroamines: ab initio and DFT studies on their structure, enthalpies of formation, and unimolecular reaction pathways Journal of Physical Chemistry A, 105 (37). pp. 8533-8540. ISSN 1089-5639

Shamasundar, K. R. ; Pal, Sourav (2001) Development of an efficient linear response approach to the Hilbert space multi-reference coupled-cluster theory Journal of Chemical Physics, 114 (5). pp. 1981-1988. ISSN 0021-9606