High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density

Physical Chemistry Chemical Physics

Volumn 3, Issue 5, 2001, Pages 664-673

  Lischka, H ^a   Shepard, R ^a   Pitzer, R M ^a   Shavitt, I ^a   Dallos, M ^a   Muller T ^a   Szalay, P G ^a   Seth, M ^a   Kedziora, G S ^a   Yabushita, S ^a   Zhang, Z ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ACCELERATION; ARTICLE; ATOM; CALCULATION; COMPUTER PROGRAM; DENSITY; ELECTRONICS; INTERMETHOD COMPARISON; LINEAR SYSTEM; MOLECULAR DYNAMICS; QUANTUM MECHANICS;

EID: 0035111450     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b008063m     Document Type: Article

References (89)