Globally Accurate Full-Dimensional Potential Energy Surface for H2 + HCl Inelastic Scattering

2019 ◽  
Vol 123 (30) ◽  
pp. 6578-6586 ◽  
Author(s):  
Qian Yao ◽  
Masato Morita ◽  
Changjian Xie ◽  
Naduvalath Balakrishnan ◽  
Hua Guo
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Energy Surface

scholarly journals Rotationally inelastic scattering of ND3with H2as a probe of the intermolecular potential energy surface

2015 ◽  
Vol 113 (24) ◽  
pp. 3925-3933 ◽  
Author(s):  
Ondřej Tkáč ◽  
Ashim K. Saha ◽  
Jérôme Loreau ◽  
Qianli Ma ◽  
Paul J. Dagdigian ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Energy Surface ◽  
Intermolecular Potential ◽  
Rotationally Inelastic Scattering

scholarly journals Inelastic rate coefficients based on an improved potential energy surface for N2 + N2 collisions in a wide temperature range

2020 ◽  
Vol 22 (17) ◽  
pp. 9375-9387
Author(s):  
Qizhen Hong ◽  
Quanhua Sun ◽  
Massimiliano Bartolomei ◽  
Fernando Pirani ◽  
Cecilia Coletti
Keyword(s):  
High Temperature ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Wide Temperature Range ◽  
Energy Surface ◽  
Rate Coefficients ◽  
Temperature Range ◽  
Temperature Regimes ◽  
Vibration Rate

Vibration-to-translation and vibration-to-vibration rate coefficients for N2–N2 inelastic scattering are calculated on an improved potential including high temperature regimes.

Collisional excitation of interstellar PO(X2Π) by He: new ab initio potential energy surfaces and scattering calculations

2018 ◽  
Vol 20 (8) ◽  
pp. 5407-5414 ◽  
Author(s):  
François Lique ◽  
Izaskun Jiménez-Serra ◽  
Serena Viti ◽  
Sarantos Marinakis
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Energy Surface ◽  
Quantum Scattering ◽  
Collisional Excitation ◽  
Energy Surfaces

The inelastic scattering of PO (X, v = 0) has been investigated by quantum scattering calculations using a new potential energy surface.

Dynamics of AlOH inelastic scattering with p-H2(J = 0) on a full and accurate potential energy surface

2019 ◽  
Vol 21 (36) ◽  
pp. 20137-20143 ◽  
Author(s):  
Manel Naouai ◽  
Faouzi Najar ◽  
Kamel Hammami
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Aluminum Hydroxide ◽  
Energy Surface ◽  
Metal Hydroxide ◽  
Interstellar Clouds

Alkali aluminum hydroxide, AlOH, has associated features with the chemistry of aluminum-bearing species and generally with metal hydroxide molecules in the interstellar clouds where it has been observed.

Semiclassical study of sudden approximations for rotationally inelastic scattering of Ar + HF

1994 ◽  
Vol 72 (3) ◽  
pp. 985-994 ◽  
Author(s):  
James J. C. Barrett ◽  
Howard R. Mayne ◽  
Mark Keil ◽  
Leslie J. Rawluk
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Inelastic Scattering ◽  
Cross Sections ◽  
Differential Cross ◽  
Infinite Order ◽  
Energy Surface ◽  
Differential Cross Sections ◽  
Sudden Approximation ◽  
Rotationally Inelastic Scattering

"Exact" quantum close coupled (CC) and infinite-order sudden approximation (IOSA) calculations have been carried out for the Ar + HF system on an accurate potential energy surface. The differential cross sections from the IOSA calculations show marked differences from the CC results. We find that the energy sudden component of the IOSA breaks down in a different manner for small and large impact parameters, significantly shifting and distorting the state-to-state differential cross sections. We also find that the centrifugal sudden approximation alone reproduces all features of the full semiclassical calculations quite faithfully. Through the use of several rotational sudden approximations, including a semiclassical version of the IOSA, we identify how the differences between the CC and IOSA results arise.

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