ON MULTIPLE SOLUTIONS OF THE FOCK-SPACE COUPLED-CLUSTER METHOD

Authors
Citation
L. Meissner, ON MULTIPLE SOLUTIONS OF THE FOCK-SPACE COUPLED-CLUSTER METHOD, Chemical physics letters, 255(4-6), 1996, pp. 244-250
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
255
Issue
4-6
Year of publication
1996
Pages
244 - 250
Database
ISI
SICI code
0009-2614(1996)255:4-6<244:OMSOTF>2.0.ZU;2-2
Abstract
Intermediate Hamiltonian techniques are used to investigate the proble m of multiple solutions of the Fock-space coupled-cluster methods. Two intermediate Hamiltonian schemes are presented, based upon similarity transformations that unlike the wave operator formalism allow for fol lowing the complete eigenvalue problem. Solutions of the standard effe ctive Hamiltonian formulation that requires iterative approaches to so lve the equations are equivalently given by diagonalization of the int ermediate Hamiltonian matrix representations. This procedure provides a systematic way of obtaining all possible solutions of the effective Hamiltonian scheme in all sectors higher than the lowest one.