Combining coupled-cluster and perturbative expansions through intermediate Hamiltonians: Theory and application to 1D and 2D spin lattices

1996 ◽  
Vol 54 (3) ◽  
pp. 1652-1661 ◽  
Author(s):  
Beatriz Miguel ◽  
Jean-Paul Malrieu
Keyword(s):  
Coupled Cluster ◽  
Spin Lattices ◽  
Intermediate Hamiltonians

Coupled-cluster approximation for spin lattices: Application to solidHe3

1990 ◽  
Vol 41 (1) ◽  
pp. 200-219 ◽  
Author(s):  
M. Roger ◽  
J. H. Hetherington
Keyword(s):  
Coupled Cluster ◽  
Cluster Approximation ◽  
Spin Lattices

Eigenvalue problem formulation of coupled-cluster expansions through intermediate Hamiltonians

1995 ◽  
Vol 234 (1-3) ◽  
pp. 45-49 ◽  
Author(s):  
I Nebot-Gil ◽  
J Sanchez-Marin ◽  
J.L Heully ◽  
J.P Malrieu ◽  
D Maynau
Keyword(s):  
Eigenvalue Problem ◽  
Problem Formulation ◽  
Coupled Cluster ◽  
Cluster Expansions ◽  
Intermediate Hamiltonians

The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene molecule

1988 ◽  
Vol 53 (9) ◽  
pp. 1910-1918 ◽  
Author(s):  
Jiří Čížek ◽  
Francine Vinette
Keyword(s):  
Lower Bound ◽  
Ground State ◽  
State Energy ◽  
Benzene Molecule ◽  
Coupled Cluster ◽  
Electron Systems ◽  
Projection Technique ◽  
Electron Theory ◽  
First Time ◽  
Intermediate Hamiltonians

The technique of inner projection is used for the first time in a chemical context, namely for the study of the ground state energy of the Pariser-Parr-Pople model of the benzene molecule. The lower bound for the energy is calculated for three types of parametrization. These results are compared with the “exact” energies which are obtained from full configuration interaction. It is shown that the inner projection technique provides very good lower bounds for the energy. In addition, we compare these inner projection results with those obtained by other approximative techniques, namely with the results of the Coupled Pair Many Electron Theory. A discussion of the application of the method of intermediate hamiltonians and the inner projection technique is also included.

The relativistic coupled-cluster method: transition energies of bismuth and eka-bismuth

1998 ◽  
Vol 94 (1) ◽  
pp. 181-187 ◽  
Author(s):  
EPHRAIM ELIAV ◽  
UZI KALDOR ◽  
YASUYUKI ISHIKAWA
Keyword(s):  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Transition Energies

Adiabatic electron affinities of PF5 and SF6: a coupled-cluster study

1998 ◽  
Vol 94 (1) ◽  
pp. 121-125 ◽  
Author(s):  
Gennady GUTSEV ◽  
RODNEY BARTLETT
Keyword(s):  
Coupled Cluster ◽  
Electron Affinities
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