Quantum Scattering Calculations for Rotational Excitations of C3 by Hydrogen Atom: Potential Energy Surfaces and Rate Coefficients

2019 ◽  
Vol 123 (33) ◽  
pp. 7296-7302 ◽  
Author(s):  
Sanchit Chhabra ◽  
Thogluva Janardhanan Dhilip Kumar
Keyword(s):  
Hydrogen Atom ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Rate Coefficients ◽  
Quantum Scattering ◽  
Energy Surfaces ◽  
Atom Potential

Quantum scattering on coupled ab initio potential energy surfaces for the Cl(2P)+HCl→ClH+Cl(2P) reaction

2000 ◽  
Vol 2 (4) ◽  
pp. 549-556 ◽  
Author(s):  
Thomas W. J. Whiteley ◽  
Abigail J. Dobbyn ◽  
J. N. L. Connor ◽  
George C. Schatz
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Quantum Scattering ◽  
Energy Surfaces

Quantum scattering on the Σ-Π intersection of potential energy surfaces

1994 ◽  
Vol 185 (1) ◽  
pp. 123-128 ◽  
Author(s):  
V.I. Osherov ◽  
L.V. Poluyanov ◽  
V.G. Ushakov ◽  
A.I. Voronin
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Quantum Scattering ◽  
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.

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.

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