Benchmarks of electronically excited states: Basis set effects on CASPT2 results

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Silva Junior, Mario R ^a   Schreiber, Marko ^a   Sauer, Stephan P A ^b   Thiel, Walter ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET EFFECTS; BASIS SETS; BEST ESTIMATES; COUPLED CLUSTERS; MULTI STATE; ONE-ELECTRON PROPERTIES; ORTHOGONALIZATION; OSCILLATOR STRENGTHS; PERFORMANCE MEASURE; QUANTITATIVE RESULT; REFERENCE SET; SECOND ORDER PERTURBATION THEORY; SEMI-EMPIRICAL; SEMI-EMPIRICAL METHODS; STATISTICAL EVALUATION; VERTICAL EXCITATION ENERGY;

EXCITATION ENERGY; EXCITED STATES; MOLECULES; PERTURBATION TECHNIQUES;

DENSITY FUNCTIONAL THEORY;

EID: 78650658535     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3499598     Document Type: Article

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