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

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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 1999

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Hamiltonians
Fourth Order
Perturbation Theory
Perturbation
Operator
Generalization
Form

ASJC Scopus subject areas

  • Chemistry(all)
  • Applied Mathematics

Cite this

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title = "Generalization of the fourth-order Hylleraas functional for the case of a non-Hermitian unperturbed Hamiltonian",
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.",
author = "A. Vib{\'o}k and G. Hal{\'a}sz",
year = "1999",
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language = "English",
volume = "25",
pages = "191--195",
journal = "Journal of Mathematical Chemistry",
issn = "0259-9791",
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AU - Vibók, A.

AU - Halász, G.

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N2 - 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.

AB - 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.

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