Computation of Orbiting Cross-Sections from ab initio Potential Energy Surfaces for Recombination of Atomic Oxygen

2019 ◽  
Author(s):  
Chaithanya Kondur ◽  
Sharanya Subramaniam ◽  
Tzu-Jung Pan ◽  
Kelly A. Stephani
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Cross Sections ◽  
Potential Energy Surfaces ◽  
Atomic Oxygen ◽  
Energy Surfaces

New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X2Π) by He

2014 ◽  
Vol 16 (26) ◽  
pp. 13500-13507 ◽  
Author(s):  
Yulia Kalugina ◽  
François Lique ◽  
Sarantos Marinakis
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Cross Sections ◽  
Differential Cross ◽  
Potential Energy Surfaces ◽  
Vibrational Excitation ◽  
Three Dimensional ◽  
Rate Coefficients ◽  
Differential Cross Sections ◽  
Energy Surfaces

A new, three-dimensional potential energy is presented. Values for integral and differential cross sections, and for inelastic rate coefficients were obtained. The results agree and significantly extend previous studies on OH(X) + He collisions.

scholarly journals Global ab initio potential energy surfaces for the O2(Σ3g−)+O2(Σ3g−) interaction

2010 ◽  
Vol 133 (12) ◽  
pp. 124311 ◽  
Author(s):  
Massimiliano Bartolomei ◽  
Estela Carmona-Novillo ◽  
Marta I. Hernández ◽  
José Campos-Martínez ◽  
Ramón Hernández-Lamoneda
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

Intermolecular potential energy surfaces and spectra of Ne–HCN complex from ab initio calculations

2001 ◽  
Vol 114 (2) ◽  
pp. 764 ◽  
Author(s):  
Garold Murdachaew ◽  
Alston J. Misquitta ◽  
Robert Bukowski ◽  
Krzysztof Szalewicz
Keyword(s):  
Potential Energy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Intermolecular Potential ◽  
Energy Surfaces
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