Applications of multireference perturbation theory to potential energy surfaces by optimal partitioning ofH: Intruder states avoidance and convergence enhancement

1995 ◽  
Vol 103 (12) ◽  
pp. 4990-5010 ◽  
Author(s):  
James P. Finley ◽  
Rajat K. Chaudhuri ◽  
Karl F. Freed
Keyword(s):  
Perturbation Theory ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Optimal Partitioning ◽  
Multireference Perturbation Theory ◽  
Energy Surfaces ◽  
Intruder States

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
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