scholarly journals Generation of spin-adapted and spin-complete substitution operators for (high spin) open-shell coupled cluster of arbitrary order

2020 ◽  
Vol 153 (16) ◽  
pp. 164114
Author(s):  
Nils Herrmann ◽  
Michael Hanrath
Keyword(s):  
High Spin ◽  
Arbitrary Order ◽  
Open Shell ◽  
Coupled Cluster

Towards a spin-adapted coupled-cluster theory for high-spin open-shell states

2006 ◽  
Vol 124 (12) ◽  
pp. 124105 ◽  
Author(s):  
Miriam Heckert ◽  
Oliver Heun ◽  
Jürgen Gauss ◽  
Péter G. Szalay
Keyword(s):  
High Spin ◽  
Open Shell ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory

Coupled cluster theory for high spin, open shell reference wave functions

1993 ◽  
Vol 99 (7) ◽  
pp. 5219-5227 ◽  
Author(s):  
Peter J. Knowles ◽  
Claudia Hampel ◽  
Hans‐Joachim Werner
Keyword(s):  
High Spin ◽  
Open Shell ◽  
Wave Functions ◽  
Reference Wave ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory

Dataset of noncovalent intermolecular interaction energy curves for 24 small high-spin open-shell dimers

2021 ◽  
Vol 154 (13) ◽  
pp. 134106
Author(s):  
Katarzyna Madajczyk ◽  
Piotr S. Żuchowski ◽  
Filip Brzȩk ◽  
Łukasz Rajchel ◽  
Dariusz Kȩdziera ◽  
...  
Keyword(s):  
Interaction Energy ◽  
Intermolecular Interaction ◽  
High Spin ◽  
Open Shell ◽  
Intermolecular Interaction Energy
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