ANALYTIC COUPLED CLUSTER BASED RESPONSE APPROACH USING MULTIDETERMINANTAL MODEL SPACE

1997 ◽  
pp. 255-273
Author(s):  
SOURAV PAL ◽  
NAYANA VAVAL
Keyword(s):  
Model Space ◽  
Coupled Cluster

Coupled-cluster method for an incomplete model space

1992 ◽  
Vol 44 (S26) ◽  
pp. 107-115 ◽  
Author(s):  
Stanislaw A. Kucharski ◽  
Rodney J. Bartlett
Keyword(s):  
Model Space ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Incomplete Model

General-Model-Space State-Universal Coupled-Cluster Method: Excited States of Ozone

2005 ◽  
Vol 70 (6) ◽  
pp. 755-770 ◽  
Author(s):  
Xiangzhu Li
Keyword(s):  
Excited States ◽  
General Model ◽  
Model Space ◽  
Molecular Orbitals ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Normal Range ◽  
Cluster Calculations ◽  
Space State ◽  
Cluster Methods

The low-lying excited states of ozone are investigated using the recently developed general-model-space state-universal coupled-cluster methods and the results are compared with other multireference coupled-cluster and spin-adapted unitary-group coupled-cluster approaches. The role played by the choice of different molecular orbitals in coupled-cluster calculations is also explored. It is found that the low-lying 1,3B2 states are particularly sensitive to the choice of the molecular orbitals. This observation explains some significant differences between the results obtained with spin-adapted and spin-non-adapted multireference coupled-cluster approaches, as documented by earlier studies. The use of appropriate orbitals brings the effect of spin-adaptation to its normal range.

Multi-reference Brillouin–Wigner coupled-cluster method with a general model space

2005 ◽  
Vol 103 (15-16) ◽  
pp. 2239-2245 ◽  
Author(s):  
JI[rbreve]Í Pittner * ◽  
Xiangzhu LI ◽  
Josef Paldus
Keyword(s):  
General Model ◽  
Model Space ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method
Sign in / Sign up

Export Citation Format

Share Document