A FOCK-SPACE COUPLED-CLUSTER METHOD FULLY UTILIZING VALENCE UNIVERSALSTRATEGY

Authors
Citation
L. Meissner, A FOCK-SPACE COUPLED-CLUSTER METHOD FULLY UTILIZING VALENCE UNIVERSALSTRATEGY, The Journal of chemical physics, 103(18), 1995, pp. 8014-8021
Citations number
88
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
103
Issue
18
Year of publication
1995
Pages
8014 - 8021
Database
ISI
SICI code
0021-9606(1995)103:18<8014:AFCMFU>2.0.ZU;2-4
Abstract
An alternative formulation of the Fock-space coupled-cluster method us ing the hole-particle model spaces that fully exploits valence univers al hierarchy of solving the coupled-cluster equations is presented. Fo rmalism employs similarity transformations to separate eigenvalue prob lems for valence sectors with different numbers of quasiparticles but the same number of particles and that leads to certain simplifications in comparison with the previous formulations. These simplifications a ppear in the higher sectors that recently have been a subject of growi ng interest. The linked-cluster theorem is proven for the method. (C) 1995 American Institute of Physics.