Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states

2009 ◽  
Vol 131 (17) ◽  
pp. 174101 ◽  
Author(s):  
Jun Shen ◽  
Shuhua Li
Keyword(s):  
Excited States ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Complete Active Space ◽  
Electronic Excited States ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

A generalization of the state-specific complete-active-space coupled-cluster method for calculating electronic excited states

2008 ◽  
Vol 128 (7) ◽  
pp. 074101 ◽  
Author(s):  
Dmitry I. Lyakh ◽  
Vladimir V. Ivanov ◽  
Ludwik Adamowicz
Keyword(s):  
Excited States ◽  
The State ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Complete Active Space ◽  
Electronic Excited States ◽  
Active Space

Analytic gradients for Mukherjee’s multireference coupled-cluster method using two-configurational self-consistent-field orbitals

2010 ◽  
Vol 132 (14) ◽  
pp. 144110 ◽  
Author(s):  
Thomas-C. Jagau ◽  
Eric Prochnow ◽  
Francesco A. Evangelista ◽  
Jürgen Gauss
Keyword(s):  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals On the stability of Be3: A benchmark complete active space self-consistent field + averaged quadratic coupled cluster study

2011 ◽  
Vol 135 (10) ◽  
pp. 104311 ◽  
Author(s):  
J. I. Amaro-Estrada ◽  
A. Scemama ◽  
M. Caffarel ◽  
A. Ramírez-Solís
Keyword(s):  
Coupled Cluster ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
The Stability
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