Orbital description of the excited states of LiH

Carl F. Melius; William A. Goddard

doi:10.1063/1.1677704

Orbital description of the excited states of LiH

Carl F. Melius
, William A. Goddard

California Institute of Technology

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

Abstract

The wavefunctions for the first five ¹Σ⁺ states, the first four ³Σ⁺ states, and the first three ¹II and ³II states of LiH have been obtained from ab initia Gl and SOGI calculations. The orbital description of the excited states of Li and LiH and the resulting correlation diagram are discussed.

Original language	English
Pages (from-to)	3348-3359
Number of pages	12
Journal	Journal of Chemical Physics
Volume	56
Issue number	7
DOIs	https://doi.org/10.1063/1.1677704
Publication status	Published - 1 Jan 1972
Externally published	Yes

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title = "Orbital description of the excited states of LiH",

abstract = "The wavefunctions for the first five 1Σ+ states, the first four 3Σ+ states, and the first three 1II and 3II states of LiH have been obtained from ab initia Gl and SOGI calculations. The orbital description of the excited states of Li and LiH and the resulting correlation diagram are discussed.",

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year = "1972",

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AU - Goddard, William A.

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N2 - The wavefunctions for the first five 1Σ+ states, the first four 3Σ+ states, and the first three 1II and 3II states of LiH have been obtained from ab initia Gl and SOGI calculations. The orbital description of the excited states of Li and LiH and the resulting correlation diagram are discussed.

AB - The wavefunctions for the first five 1Σ+ states, the first four 3Σ+ states, and the first three 1II and 3II states of LiH have been obtained from ab initia Gl and SOGI calculations. The orbital description of the excited states of Li and LiH and the resulting correlation diagram are discussed.

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DO - 10.1063/1.1677704

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VL - 56

SP - 3348

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 7

ER -

Orbital description of the excited states of LiH

Abstract

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