Trajectory surface hopping vs. quantum scattering calculations on D+ + H2 and H + <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si187.svg"><mml:mrow><mml:msubsup><mml:mrow><mml:mtext>H</mml:mtext></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math> reactions using ab initio surfaces and couplings-Reference-Cited by-同舟云学术

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Trajectory surface hopping vs. quantum scattering calculations on D+ + H2 and H + H2+ reactions using ab initio surfaces and couplings

Published:2022-08 Issue: Volume:560 Page:111588
ISSN:0301-0104
Container-title:Chemical Physics
language:en
Short-container-title:Chemical Physics

Author:

Mukherjee Soumya,Hazra Saikat,Ghosh Sandip,Mukherjee Saikat,Adhikari Satrajit

Funder

Council of Scientific and Industrial Research, India

Science and Engineering Research Board

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference87 articles.

1. Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2;Tully;J. Chem. Phys.,1971

2. Energy transfer in collisions of an excited sodium atom with a nitrogen molecule;Bjerre;Chem. Phys. Lett.,1967

3. Surface-hopping trajectory calculations of collision-induced dissociation processes with and without charge transfer;Kuntz;Chem. Phys.,1979

4. Trajectory-surface-hopping study of Na(3p2P) + H2 → Na(3s2S) + H2(v′,j′,θ);Blais;J. Chem. Phys.,1983

5. On the multidimensional surface intersection problem and classical trajectory “surface hopping;Stine;J Chem. Phys.,1976

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Quasi-Classical Trajectory Calculations on a Two-State Potential Energy Surface Including Nonadiabatic Coupling Terms as Friction for D⁺ + H₂ Collisions;The Journal of Physical Chemistry A;2024-08-22

2. Unveiling Quantum Interference in the D⁺ + H₂ Nonadiabatic Reaction Dynamics at Low Collision Energies;The Journal of Physical Chemistry A;2024-01-04

3. The quantum mechanical non-adiabatic coupling term as friction in the formation of DH2+;Advances in Quantum Chemistry;2024

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