Renner–Teller effect in linear tetra-atomic molecules. I. Variational method including couplings between all degrees of freedom on six-dimensional potential energy surfaces

2009 ◽  
Vol 130 (13) ◽  
pp. 134301 ◽  
Author(s):  
L. Jutier ◽  
C. Léonard ◽  
F. Gatti
Keyword(s):  
Variational Method ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Degrees Of Freedom ◽  
Teller Effect ◽  
Energy Surfaces

Triangulation of the Lowest Energy Sheet for Jahn-Teller Potential Energy Surfaces

1986 ◽  
Vol 41 (3) ◽  
pp. 532-534
Author(s):  
Ariel Fernández
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Potential Energy Surfaces ◽  
Lower Energy ◽  
Energy Surface ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Energy Surfaces

The topology of the lower energy sheet for the Potential Energy Surface corresponding to the dynamic Jahn-Teller effect is obtained by means of homological techniques.

Potential energy surfaces and Jahn-Teller effect on CH4⋯NO complexes

2007 ◽  
Vol 127 (10) ◽  
pp. 104305 ◽  
Author(s):  
Rachel Crespo-Otero ◽  
Reynier Suardiaz ◽  
Luis Alberto Montero ◽  
José M. García de la Vega
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Energy Surfaces

scholarly journals Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups

2011 ◽  
Vol 2011 ◽  
pp. 1-38 ◽  
Author(s):  
Renato Lemus
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Degrees Of Freedom ◽  
Traditional Approach ◽  
Unitary Groups ◽  
Algebraic Methods ◽  
Group Approach ◽  
Molecular Systems ◽  
Energy Surfaces ◽  
Algebraic Approaches

This contribution reviews the recent advances to estimate the potential energy surfaces through algebraic methods based on the unitary groups used to describe the molecular vibrational degrees of freedom. The basic idea is to introduce the unitary group approach in the context of the traditional approach, where the Hamiltonian is expanded in terms of coordinates and momenta. In the presentation of this paper, several representative molecular systems that permit to illustrate both the different algebraic approaches as well as the usual problems encountered in the vibrational description in terms of internal coordinates are presented. Methods based on coherent states are also discussed.

Sign in / Sign up

Export Citation Format

Share Document