A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimers

2005 ◽  
Vol 7 (23) ◽  
pp. 3917 ◽  
Author(s):  
Erich Goll ◽  
Hans-Joachim Werner ◽  
Hermann Stoll
Keyword(s):  
Long Range ◽  
Short Range ◽  
Density Functional ◽  
Coupled Cluster ◽  
Rare Gas ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers

2006 ◽  
Vol 329 (1-3) ◽  
pp. 276-282 ◽  
Author(s):  
Erich Goll ◽  
Hans-Joachim Werner ◽  
Hermann Stoll ◽  
Thierry Leininger ◽  
Paola Gori-Giorgi ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Spin Density ◽  
Long Range ◽  
Short Range ◽  
Density Functional ◽  
Coupled Cluster ◽  
Rare Gas ◽  
Coupled Cluster Methods ◽  
Cluster Methods

scholarly journals Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations

2009 ◽  
Vol 131 (14) ◽  
pp. 144104 ◽  
Author(s):  
Ola B. Lutnæs ◽  
Andrew M. Teale ◽  
Trygve Helgaker ◽  
David J. Tozer ◽  
Kenneth Ruud ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Coupled Cluster ◽  
Functional Theory ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Density functional and coupled-cluster calculations of isodesmic reactions involving fluorine oxides

1999 ◽  
Vol 301 (3-4) ◽  
pp. 331-335 ◽  
Author(s):  
Oscar N Ventura ◽  
Raúl E Cachau ◽  
Martina Kieninger
Keyword(s):  
Density Functional ◽  
Coupled Cluster ◽  
Isodesmic Reactions ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations
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