Symmetry-adapted perturbation theory based on unrestricted Kohn-Sham orbitals for high-spin open-shell van der Waals complexes

2012 ◽  
Vol 137 (16) ◽  
pp. 164104 ◽  
Author(s):  
Michał Hapka ◽  
Piotr S. Żuchowski ◽  
Małgorzata M. Szczęśniak ◽  
Grzegorz Chałasiński
Keyword(s):  
Perturbation Theory ◽  
High Spin ◽  
Van Der Waals ◽  
Open Shell ◽  
Van Der Waals Complexes

Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes

2008 ◽  
Vol 129 (8) ◽  
pp. 084101 ◽  
Author(s):  
Piotr S. Żuchowski ◽  
Rafał Podeszwa ◽  
Robert Moszyński ◽  
Bogumił Jeziorski ◽  
Krzysztof Szalewicz
Keyword(s):  
Perturbation Theory ◽  
High Spin ◽  
Density Functional ◽  
Open Shell ◽  
Functional Description

The dynamics of open‐shell Van der Waals complexes

1991 ◽  
Vol 94 (12) ◽  
pp. 7602-7618 ◽  
Author(s):  
Marie‐Lise Dubernet ◽  
David Flower ◽  
Jeremy M. Hutson
Keyword(s):  
Van Der Waals ◽  
Open Shell ◽  
Van Der Waals Complexes
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