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

Research output: Contribution to journal › Article › peer-review

40 Scopus citations

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

Cite this

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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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U2 - 10.1016/0009-2614(84)85359-2

DO - 10.1016/0009-2614(84)85359-2

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AN - SCOPUS:0002112960

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

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

Abstract

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