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

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

37 Scopus citations

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.",

author = "Ludwik Adamowicz and Bartlett, \{Rodney J.\}",

year = "1988",

doi = "10.1063/1.454656",

language = "English (US)",

volume = "88",

pages = "313--316",

journal = "The Journal of chemical physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

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T1 - Excited state electron affinities of NaF, LiCl, and NaCl

AU - Adamowicz, Ludwik

AU - Bartlett, Rodney J.

PY - 1988

Y1 - 1988

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.

UR - https://www.scopus.com/pages/publications/36549102118

UR - https://www.scopus.com/pages/publications/36549102118#tab=citedBy

U2 - 10.1063/1.454656

DO - 10.1063/1.454656

M3 - Article

SN - 0021-9606

VL - 88

SP - 313

EP - 316

JO - The Journal of chemical physics

JF - The Journal of chemical physics

IS - 1

ER -

Excited state electron affinities of NaF, LiCl, and NaCl

Abstract

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