Ab initio many-electron study for the low-lying states of the alkali hydride cations in the adiabatic representation

Journal of Chemical Physics

Volumn 136, Issue 12, 2012, Pages

  Yan, Lingling ^a   Qu, Yizhi ^a   Liu, Chunhua ^b,c   Wang, Jianguo ^b   Buenker, Robert J ^d  

^a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^b INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^c INSTITUTE OF MODERN PHYSICS   (China)

^d UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ACTIVE ELECTRONS; ADIABATIC POTENTIAL ENERGY CURVES; ALKALI HYDRIDES; ALKALI METAL ATOMS; ATOMIC NUMBERS; AVOIDED CROSSINGS; COMPLEX STRUCTURE; COUPLING MATRIX ELEMENT; ENERGY SEPARATIONS; EXCITED ELECTRONIC STATE; EXPERIMENTAL DATA; INNER POTENTIAL; INNER SHELL; INNER-SHELL ELECTRONS; INTERNUCLEAR DISTANCES; LONG-RANGE POTENTIAL; LOW-LYING STATE; MULTIREFERENCE SINGLE- AND DOUBLE-EXCITATION CONFIGURATION; POTENTIAL CURVES; POTENTIAL WELLS; ROTATIONAL COUPLING; SELF-CONSISTENT FIELD; SPECTROSCOPIC CONSTANTS; VALENCE ELECTRON;

ATOMS; ELECTRONIC STATES; ELECTRONS; EXCITED STATES; HYDRIDES; HYDROGEN; POSITIVE IONS; ROTATION; WELLS;

CALCULATIONS;

EID: 84859528358     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3695997     Document Type: Article

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