Excited state electron affinities of NaF, LiCl, and NaCl

Ludwik Adamowicz, Rodney J. Bartlett

Research output: Contribution to journalArticle

35 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)313-316
Number of pages4
JournalThe Journal of Chemical Physics
Volume88
Issue number1
StatePublished - 1988

Fingerprint

Electron affinity
electron affinity
Excited states
Anions
Slater orbitals
dipoles
Composite materials
excitation
anions
orbitals
composite materials
predictions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Excited state electron affinities of NaF, LiCl, and NaCl. / Adamowicz, Ludwik; Bartlett, Rodney J.

In: The Journal of Chemical Physics, Vol. 88, No. 1, 1988, p. 313-316.

Research output: Contribution to journalArticle

@article{b07e5118f9cb4176a3d27bed848de873,
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",
language = "English (US)",
volume = "88",
pages = "313--316",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "1",

}

TY - JOUR

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 - http://www.scopus.com/inward/record.url?scp=36549102118&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=36549102118&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:36549102118

VL - 88

SP - 313

EP - 316

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 1

ER -