ON THE HYLLERAAS FUNCTIONAL FOR A NON-HERMITIAN UNPERTURBED HAMILTONIAN

Authors
MAYER I
Citation
I. Mayer, ON THE HYLLERAAS FUNCTIONAL FOR A NON-HERMITIAN UNPERTURBED HAMILTONIAN, Molecular physics, 89(2), 1996, pp. 515-519
Citations number
20
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
89
Issue
2
Year of publication
1996
Pages
515 - 519
Database
ISI
SICI code
0026-8976(1996)89:2<515:OTHFFA>2.0.ZU;2-Y
Abstract
The expression of the second-order Hylleraas functional is discussed f or the case when the Hermitian Born-Oppenheimer Hamiltonian is decompo sed into a non-Hermitian unperturbed part and a non-Hermitian perturba tion. The result is of importance for developing BSSE-free perturbatio n theories of intermolecular interactions.