High excited states of dipole-bound anions of polar diatomic molecules

L. Adamowicz; E. A. McCullough

doi:10.1016/0009-2614(84)85359-2

High excited states of dipole-bound anions of polar diatomic molecules

L. Adamowicz, E. A. McCullough

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Abstract

Stationary nucleus. Koopmans' theorem level calculations of the electron binding energies in excited state anions of several polar diatomic molecules have been performed. Binding energies as small as 5 × 10^-8 eV (for the fifth) excited state of MgO^-) were obtained. The results indicate that catastrophic breakdown of the Born-Oppenheimer approximation should be observable in the second excited state of LiF^-.

Original language	English (US)
Pages (from-to)	72-76
Number of pages	5
Journal	Chemical Physics Letters
Volume	107
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(84)85359-2
State	Published - May 18 1984
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(84)85359-2

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title = "High excited states of dipole-bound anions of polar diatomic molecules",

abstract = "Stationary nucleus. Koopmans' theorem level calculations of the electron binding energies in excited state anions of several polar diatomic molecules have been performed. Binding energies as small as 5 × 10-8 eV (for the fifth) excited state of MgO-) were obtained. The results indicate that catastrophic breakdown of the Born-Oppenheimer approximation should be observable in the second excited state of LiF-.",

author = "L. Adamowicz and McCullough, {E. A.}",

note = "Funding Information: We wish to thank W.R. Garrett for commenting on this paper. The researchw as supported by the National Science Foundation_",

year = "1984",

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doi = "10.1016/0009-2614(84)85359-2",

language = "English (US)",

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T1 - High excited states of dipole-bound anions of polar diatomic molecules

AU - Adamowicz, L.

AU - McCullough, E. A.

N1 - Funding Information: We wish to thank W.R. Garrett for commenting on this paper. The researchw as supported by the National Science Foundation_

PY - 1984/5/18

Y1 - 1984/5/18

N2 - Stationary nucleus. Koopmans' theorem level calculations of the electron binding energies in excited state anions of several polar diatomic molecules have been performed. Binding energies as small as 5 × 10-8 eV (for the fifth) excited state of MgO-) were obtained. The results indicate that catastrophic breakdown of the Born-Oppenheimer approximation should be observable in the second excited state of LiF-.

AB - Stationary nucleus. Koopmans' theorem level calculations of the electron binding energies in excited state anions of several polar diatomic molecules have been performed. Binding energies as small as 5 × 10-8 eV (for the fifth) excited state of MgO-) were obtained. The results indicate that catastrophic breakdown of the Born-Oppenheimer approximation should be observable in the second excited state of LiF-.

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High excited states of dipole-bound anions of polar diatomic molecules

Abstract

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