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

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

Résumé

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.

langue originale	Anglais
Pages (de - à)	3348-3359
Nombre de pages	12
journal	Journal of Chemical Physics
Volume	56
Numéro de publication	7
Les DOIs	https://doi.org/10.1063/1.1677704
état	Publié - 1 janv. 1972
Modification externe	Oui

Accès au document

10.1063/1.1677704

Contient cette citation

@article{b442cc650674439bbbdfbe21501e36f6,

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.",

author = "Melius, \{Carl F.\} and Goddard, \{William A.\}",

year = "1972",

month = jan,

day = "1",

doi = "10.1063/1.1677704",

language = "English",

volume = "56",

pages = "3348--3359",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

number = "7",

}

TY - JOUR

T1 - Orbital description of the excited states of LiH

AU - Melius, Carl F.

AU - Goddard, William A.

PY - 1972/1/1

Y1 - 1972/1/1

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.

U2 - 10.1063/1.1677704

DO - 10.1063/1.1677704

M3 - Article

AN - SCOPUS:36849114460

SN - 0021-9606

VL - 56

SP - 3348

EP - 3359

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 7

ER -

Orbital description of the excited states of LiH

Résumé

Accès au document

Empreinte digitale

Contient cette citation