Coupled-cluster electronic spectra for the Ca+-acetylene π complex and comparisons to its alkaline earth analogs

Journal of Chemical Physics

Volumn 113, Issue 2, 2000, Pages 701-706

  Wesolowski, Steven S ^a   King, Rollin A ^a   Schaefer III, Henry F ^a   Duncan, Michael A ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; COMPUTER SOFTWARE; ELECTRON ENERGY LEVELS; ELECTRON SPECTROSCOPY; ELECTRON TRANSITIONS; EQUATIONS OF MOTION; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; STRUCTURE (COMPOSITION);

ALKALINE EARTH ANALOGS; COUPLED CLUSTER ELECTRONIC SPECTRA; ELECTRONIC ENERGY; EXCITED STATES; SINGLES AND DOUBLES COUPLED CLUSTER METHOD; SOFTWARE PACKAGE ACESII; SOFTWARE PACKAGE GAUSSIAN94; STRETCHING PROGRESSION;

CALCIUM COMPOUNDS;

EID: 0034230212     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481845     Document Type: Article

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