Permanent electric dipole moments and hyperfine interaction in ruthenium monocarbide, RuC

Timothy Steimle; Wilton L. Virgo; John M. Brown

doi:10.1063/1.1534586

Permanent electric dipole moments and hyperfine interaction in ruthenium monocarbide, RuC

Timothy Steimle, Wilton L. Virgo, John M. Brown

Molecular Sciences, School of (SMS)

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

19 Scopus citations

Abstract

A simple single configuration description for the [18.1]¹Σ and X ¹Σ states of RuC is proposed. This description correctly predicts the qualitative trends in the dipole moments and hyperfine interactions. Within the confines of the limited database available, the quantum chemical predictions for dipole moments of the 4d series of monocarbides appears to be more reliable than those for the 3d monocarbides.

Original language	English (US)
Pages (from-to)	2620-2625
Number of pages	6
Journal	Journal of Chemical Physics
Volume	118
Issue number	6
DOIs	https://doi.org/10.1063/1.1534586
State	Published - Feb 8 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1534586

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abstract = "A simple single configuration description for the [18.1]1Σ and X 1Σ states of RuC is proposed. This description correctly predicts the qualitative trends in the dipole moments and hyperfine interactions. Within the confines of the limited database available, the quantum chemical predictions for dipole moments of the 4d series of monocarbides appears to be more reliable than those for the 3d monocarbides.",

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AB - A simple single configuration description for the [18.1]1Σ and X 1Σ states of RuC is proposed. This description correctly predicts the qualitative trends in the dipole moments and hyperfine interactions. Within the confines of the limited database available, the quantum chemical predictions for dipole moments of the 4d series of monocarbides appears to be more reliable than those for the 3d monocarbides.

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Permanent electric dipole moments and hyperfine interaction in ruthenium monocarbide, RuC

Abstract

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