Generalization of the fourth-order Hylleraas functional for the case of a non-Hermitian unperturbed Hamiltonian

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Generalization of the fourth-order Hylleraas functional form have been performed for the case of non-Hermitian operators. Our new formulas are relevant when the Hermitian Born-Oppenheimer Hamiltonian is decomposed into a non-Hermitian unperturbed part and also a non-Hermitian perturbation. The results can be used to develop BSSE-free intermolecular perturbation theory up to fourth-order.

Original languageEnglish
Pages (from-to)191-195
Number of pages5
JournalJournal of Mathematical Chemistry
Volume25
Issue number2-3
Publication statusPublished - Oct 1 1999

    Fingerprint

ASJC Scopus subject areas

  • Chemistry(all)
  • Applied Mathematics

Cite this