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Ghosh, Sandip, Sharma, Rahul, Adhikari, Satrajit, Varandas, António J. C. (2019) Fully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O2 reaction on the CHIPR potential energy surface. Physical Chemistry Chemical Physics, 21 (36). 20166-20176 doi:10.1039/c9cp03171e

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Reference TypeJournal (article/letter/editorial)
TitleFully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O2 reaction on the CHIPR potential energy surface
JournalPhysical Chemistry Chemical Physics
AuthorsGhosh, SandipAuthor
Sharma, RahulAuthor
Adhikari, SatrajitAuthor
Varandas, António J. C.Author
Year2019Volume21
Issue36
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c9cp03171eSearch in ResearchGate
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Mindat Ref. ID4037695Long-form Identifiermindat:1:5:4037695:8
GUID0
Full ReferenceGhosh, Sandip, Sharma, Rahul, Adhikari, Satrajit, Varandas, António J. C. (2019) Fully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O2 reaction on the CHIPR potential energy surface. Physical Chemistry Chemical Physics, 21 (36). 20166-20176 doi:10.1039/c9cp03171e
Plain TextGhosh, Sandip, Sharma, Rahul, Adhikari, Satrajit, Varandas, António J. C. (2019) Fully coupled (J > 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O2 reaction on the CHIPR potential energy surface. Physical Chemistry Chemical Physics, 21 (36). 20166-20176 doi:10.1039/c9cp03171e
In(2019) Physical Chemistry Chemical Physics Vol. 21 (36) Royal Society of Chemistry (RSC)

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Ghosh, Sandip, Sharma, Rahul, Adhikari, Satrajit, Varandas, António J. C. (2021) Dynamical calculations of O(3P) + OH(2Π) 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) 21784-21796 doi:10.1039/d1cp02488d
Ghosh, Sandip, Sharma, Rahul, Adhikari, Satrajit, Varandas, António J. C. (2018) 3D time-dependent wave-packet approach in hyperspherical coordinates for the H + O2 reaction on the CHIPR and DMBE IV potential energy surfaces. Physical Chemistry Chemical Physics, 20 (1). 478-488 doi:10.1039/c7cp06254k
Ghosh, Sandip, Sharma, Rahul, Adhikari, Satrajit, Varandas, António J.C. (2017) Coupled 3D time-dependent quantum wave-packet study of the O + OH reaction in hyperspherical coordinates on the CHIPR potential energy surface. Chemical Physics Letters, 675. 85-91 doi:10.1016/j.cplett.2017.03.003
Ghosh, Sandip, Sahoo, Tapas, Adhikari, Satrajit, Sharma, Rahul, Varandas, António J. C. (2015) Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: The D++H2 Reaction on the Triple-Sheeted DMBE Potential Energy Surface. The Journal of Physical Chemistry A, 119 (50). 12392-12403 doi:10.1021/acs.jpca.5b07718
Sahoo, Tapas, Ghosh, Sandip, Adhikari, Satrajit, Sharma, Rahul, Varandas, António J. C. (2015) Low-temperature D+ + H2 reaction: A time-dependent coupled wave-packet study in hyperspherical coordinates. The Journal of Chemical Physics, 142 (2). 24304pp. doi:10.1063/1.4905379
Sahoo, Tapas, Ghosh, Sandip, Adhikari, Satrajit, Sharma, Rahul, Varandas, António J. C. (2014) Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State(11A′) D+ + H2 Reaction. The Journal of Physical Chemistry A, 118 (26). 4837-4850 doi:10.1021/jp5035739
Sahoo, Tapas, Ghosh, Sandip, Adhikari, Satrajit, Sharma, Rahul, Varandas, António J. C. (2014) Correction to “Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State (11A′) D+ + H2 Reaction”. The Journal of Physical Chemistry A, 118 (33). 6740 doi:10.1021/jp506654u
Adhikari, Satrajit, Varandas, António J.C. (2013) The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates. Computer Physics Communications, 184. 270-283 doi:10.1016/j.cpc.2012.09.001
Hazra, Saikat, Naskar, Koushik, Adhikari, Satrajit, Varandas, António J. C. (2024) Ortho–Para Conversion for H+ + H2 Collision in Low Temperature: A Fully Close-Coupled Time-Dependent Wave Packet Study. The Journal of Physical Chemistry A, 128 (41). doi:10.1021/acs.jpca.4c02243
Naskar, Koushik, Mukherjee, Soumya, Ghosh, Sandip, Adhikari, Satrajit (2024) Coupled 3D (J ≥ 0) Time-Dependent Wave Packet Calculation for the F + H2 Reaction on Accurate Ab Initio Multi-State Diabatic Potential Energy Surfaces. The Journal of Physical Chemistry A, 128 (8) 1438-1456 doi:10.1021/acs.jpca.3c05590
Ghosh, Sandip, Mukherjee, Saikat, Mukherjee, Bijit, Mandal, Souvik, Sharma, Rahul, Chaudhury, Pinaki, Adhikari, Satrajit (2017) 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. The Journal of Chemical Physics, 147 (7). 74105pp. doi:10.1063/1.4998406
 
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