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Coupled three-dimensional quantum mechanical wave packet study of proton transfer in H2+ + He collisions on accurate ab initio two-state diabatic potential energy surfaces
Naskar, Koushik, Ghosh, Sandip, Adhikari, Satrajit, Baer, Michael, Sathyamurthy, Narayanasami
Published in The Journal of chemical physics (21.07.2023)
Published in The Journal of chemical physics (21.07.2023)
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A beyond Born–Oppenheimer treatment of C6H6+ radical cation for diabatic surfaces: Photoelectron spectra of its neutral analog using time-dependent discrete variable representation
Mukherjee, Soumya, Ravi, Satyam, Naskar, Koushik, Sardar, Subhankar, Adhikari, Satrajit
Published in The Journal of chemical physics (07.03.2021)
Published in The Journal of chemical physics (07.03.2021)
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Accurate Calculation of Rate Constant and Isotope Effect for the F + H2 Reaction by the Coupled 3D Time-Dependent Wave Packet Method on the Newly Constructed Ab Initio Ground Potential Energy Surface
Naskar, Koushik, Ghosh, Sandip, Adhikari, Satrajit
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.06.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (02.06.2022)
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On the quantum dynamical treatment of surface vibrational modes for reactive scattering of H2 from Cu(111) at 925 K
Sah, Mantu Kumar, Naskar, Koushik, Adhikari, Satrajit, Smits, Bauke, Meyer, Jörg, Somers, Mark F.
Published in The Journal of chemical physics (07.07.2024)
Published in The Journal of chemical physics (07.07.2024)
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Beyond Born–Oppenheimer based diabatic surfaces of 1,3,5-C6H3F3+ to generate the photoelectron spectra using time-dependent discrete variable representation approach
Mukherjee, Soumya, Satyam Ravi, Dutta, Joy, Sardar, Subhankar, Adhikari, Satrajit
Published in Physical chemistry chemical physics : PCCP (26.01.2022)
Published in Physical chemistry chemical physics : PCCP (26.01.2022)
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Ab initio constructed diabatic surfaces of NO2 and the photodetachment spectra of its anion
Mukherjee, Saikat, Mukherjee, Bijit, Sardar, Subhankar, Adhikari, Satrajit
Published in The Journal of chemical physics (28.12.2015)
Published in The Journal of chemical physics (28.12.2015)
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Cubic perturbed centrifugally stabilized excited state in orthorhombic manganites
Dutta, Joy, Adhikari, Satrajit, Kovaleva, N. N.
Published in The Journal of chemical physics (14.02.2019)
Published in The Journal of chemical physics (14.02.2019)
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Effect of surface temperature on quantum dynamics of H2 on Cu(111) using a chemically accurate potential energy surface
Dutta, Joy, Mandal, Souvik, Adhikari, Satrajit, Spiering, Paul, Meyer, Jörg, Somers, Mark F.
Published in The Journal of chemical physics (14.03.2021)
Published in The Journal of chemical physics (14.03.2021)
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Fully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O2 reaction on the CHIPR potential energy surface
Ghosh, Sandip, Sharma, Rahul, Adhikari, Satrajit, Varandas, António J C
Published in Physical chemistry chemical physics : PCCP (2019)
Published in Physical chemistry chemical physics : PCCP (2019)
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Multisurface Multimode Molecular Dynamical Simulation of Naphthalene and Anthracene Radical Cations by Using Nearly Linear Scalable Time-Dependent Discrete Variable Representation Method
Khan, Basir Ahamed, Sardar, Subhankar, Sarkar, Pranab, Adhikari, Satrajit
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.12.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (11.12.2014)
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Beyond Born–Oppenheimer constructed diabatic potential energy surfaces for F + H2 reaction
Mukherjee, Bijit, Naskar, Koushik, Mukherjee, Soumya, Ravi, Satyam, Shamasundar, K. R., Mukhopadhyay, Debasis, Adhikari, Satrajit
Published in The Journal of chemical physics (07.11.2020)
Published in The Journal of chemical physics (07.11.2020)
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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-packet approach
Ghosh, Sandip, Mukherjee, Saikat, Mukherjee, Bijit, Mandal, Souvik, Sharma, Rahul, Chaudhury, Pinaki, Adhikari, Satrajit
Published in The Journal of chemical physics (21.08.2017)
Published in The Journal of chemical physics (21.08.2017)
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Renner–Teller intersections along the collinear axes of polyatomic molecules: H2CN as a case study
Das, Anita, Mukhopadhyay, Debasis, Adhikari, Satrajit, Baer, Michael
Published in The Journal of chemical physics (28.08.2010)
Published in The Journal of chemical physics (28.08.2010)
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