Separability of H2O molecular potential surfaces in hyperspherical coordinates via adiabatic approximation

2020 ◽  
Vol 102 (4) ◽  
Author(s):  
Jiří Daněk ◽  
C. D. Lin
Keyword(s):  
Adiabatic Approximation ◽  
Hyperspherical Coordinates ◽  
Potential Surfaces ◽  
Molecular Potential

The Crude Born-Oppenheimer Adiabatic Approximation of Molecular Potential Energies

2003 ◽  
pp. 505-555
Author(s):  
K. K. Liang ◽  
J. C. Jiang ◽  
V. V. Kislov ◽  
A. M. Mebel ◽  
S. H. Lin ◽  
...  
Keyword(s):  
Adiabatic Approximation ◽  
Molecular Potential

An application of the functional Boys-Bernardi counterpoise method to molecular potential surfaces

1973 ◽  
Vol 29 (2) ◽  
pp. 167-172 ◽  
Author(s):  
Allan Johansson ◽  
Peter Kollman ◽  
Steve Rothenberg
Keyword(s):  
Potential Surfaces ◽  
Molecular Potential ◽  
Counterpoise Method

Approximate Factorization of Molecular Potential Surfaces II. Internal Rotors

2000 ◽  
Vol 214 (11) ◽  
Author(s):  
R. Pearman ◽  
M. Gruebele
Keyword(s):  
Potential Energy ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Approximate Factorization ◽  
Potential Surfaces ◽  
Energy Redistribution ◽  
Large Molecules ◽  
Molecular Potential ◽  
Scaling Models ◽  
Random Matrix Models

Scaling models for the polyatomic potential energy surface occupy a ground intermediate between ab initio surfaces and random matrix models. They are useful for the study of vibrational energy redistribution (IVR) in large molecules, and have been shown to reproduce many features of more accurate spectroscopically fitted or

Collective hyperspherical coordinates for polyatomic molecules and clusters

2000 ◽  
Vol 98 (21) ◽  
pp. 1763-1770 ◽  
Author(s):  
Vincenzo Aquilanti, Andrea Beddoni, Simonett
Keyword(s):  
Polyatomic Molecules ◽  
Hyperspherical Coordinates
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