Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2

Molecular Physics

Volumn 108, Issue 3-4, 2010, Pages 453-465

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

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Benchmarks; CC2; CC3; CCSDR(3); Coupled cluster methods; Electronically excited states

Indexed keywords

BASIS SET EFFECTS; BASIS SETS; BENCHMARKS; CORRELATION COEFFICIENT; COUPLED CLUSTERS; COUPLED-CLUSTER METHODS; ELECTRONIC EXCITATION ENERGY; EXCITED-STATE DIPOLE MOMENT; INTRINSIC ACCURACY; MEDIUM-SIZED MOLECULES; ONE-ELECTRON PROPERTIES; OSCILLATOR STRENGTHS; REFERENCE VALUES; VERTICAL EXCITATION ENERGY;

ELECTRIC EXCITATION; ELECTRON TRANSITIONS; EXCITATION ENERGY; EXCITED STATES;

CLUSTER ANALYSIS;

EID: 77951121240     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970903549047     Document Type: Article

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