Singular nonadiabatic coupling at intersections of potential-energy surfaces by infinite-order perturbation theory

2003 ◽  
Vol 68 (3) ◽  
Author(s):  
Florian Dufey
Keyword(s):  
Perturbation Theory ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Infinite Order ◽  
Order Perturbation ◽  
Order Perturbation Theory ◽  
Nonadiabatic Coupling ◽  
Energy Surfaces

Symmetry-adapted perturbation theory of potential-energy surfaces for weakly bound molecular complexes

1994 ◽  
Vol 307 ◽  
pp. 135-151 ◽  
Author(s):  
Tatiana Cwiok ◽  
Bogumil Jeziorski ◽  
Wlodzimierz Kolos ◽  
Robert Moszynski ◽  
Krzysztof Szalewicz
Keyword(s):  
Perturbation Theory ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Molecular Complexes ◽  
Weakly Bound ◽  
Energy Surfaces

Nonadiabatic coupling in the Li2-Li2+ system

1985 ◽  
Vol 50 (5) ◽  
pp. 1010-1021
Author(s):  
Jan Vojtík ◽  
Alena Krtková ◽  
Rudolf Polák
Keyword(s):  
Potential Energy ◽  
Configuration Space ◽  
Potential Energy Surfaces ◽  
Nonadiabatic Coupling ◽  
Nonadiabatic Effects ◽  
Basic Characteristics ◽  
Chemical Conditions ◽  
Energy Surfaces

Nonadiabatic coupling between the lowest two doublet potential energy surfaces of the Li2-Li2+ system is calculated using the semiempirical VB technique of diatomics-in-molecules (DIM). Location of nonadiabatic region in the configuration space and basic characteristics of the system in nonadiabatic and asymptotic regions are used to discuss the influence of the nonadiabatic effects on the behaviour of the Li2-Li2+ system under chemical conditions.

The application of infinite-order perturbation theory to biological polymers

Biopolymers ◽  
1977 ◽  
Vol 16 (12) ◽  
pp. 2785-2796 ◽  
Author(s):  
Harvey Groskreutz ◽  
Shi-Yu Wu ◽  
Manuel Schwartz
Keyword(s):  
Perturbation Theory ◽  
Infinite Order ◽  
Order Perturbation ◽  
Order Perturbation Theory ◽  
Biological Polymers
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