Excited state electron affinities of NaF, LiCl, and NaCl

Ludwik Adamowicz; Rodney J. Bartlett

doi:10.1063/1.454656

Excited state electron affinities of NaF, LiCl, and NaCl

Ludwik Adamowicz, Rodney J. Bartlett

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Abstract

Numerical Hartree-Fock and coupled-cluster (CCSD) predictions of the existence of excited states of dipole bound anions are reported for NaF, LiCl, and NaCl. The calculations use a composite numerical and Slater orbital basis set. The second dipole states are found to be bound by 0.012, 0.009, and 0.021 eV for NaF, LiCl, and NaCl, respectively, and should be amenable to experimental observation.

Original language	English (US)
Pages (from-to)	313-316
Number of pages	4
Journal	The Journal of chemical physics
Volume	88
Issue number	1
DOIs	https://doi.org/10.1063/1.454656
State	Published - 1988

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Excited state electron affinities of NaF, LiCl, and NaCl",

abstract = "Numerical Hartree-Fock and coupled-cluster (CCSD) predictions of the existence of excited states of dipole bound anions are reported for NaF, LiCl, and NaCl. The calculations use a composite numerical and Slater orbital basis set. The second dipole states are found to be bound by 0.012, 0.009, and 0.021 eV for NaF, LiCl, and NaCl, respectively, and should be amenable to experimental observation.",

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N2 - Numerical Hartree-Fock and coupled-cluster (CCSD) predictions of the existence of excited states of dipole bound anions are reported for NaF, LiCl, and NaCl. The calculations use a composite numerical and Slater orbital basis set. The second dipole states are found to be bound by 0.012, 0.009, and 0.021 eV for NaF, LiCl, and NaCl, respectively, and should be amenable to experimental observation.

AB - Numerical Hartree-Fock and coupled-cluster (CCSD) predictions of the existence of excited states of dipole bound anions are reported for NaF, LiCl, and NaCl. The calculations use a composite numerical and Slater orbital basis set. The second dipole states are found to be bound by 0.012, 0.009, and 0.021 eV for NaF, LiCl, and NaCl, respectively, and should be amenable to experimental observation.

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Excited state electron affinities of NaF, LiCl, and NaCl

Abstract

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