Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH

Journal of Chemical Physics

Volumn 132, Issue 1, 2010, Pages

  Knecht, Stefan ^a   Jensen, Hans Jørgen Aa ^b   Fleig, Timo ^c  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

^c European Theoretical Spectroscopy Facility   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; BASIS SETS; BENCHMARK TESTS; CONFIGURATION INTERACTIONS; DISTRIBUTED DATA; FIRST EXCITED STATE; MULTI REFERENCE; PARALLEL CONFIGURATION; PARALLEL IMPLEMENTATIONS; PARALLELIZATIONS; SLATER DETERMINANTS; SPECTROSCOPIC PROPERTY; SPIN-ORBIT COUPLINGS; STATIC LOAD BALANCING; TWO-STATE;

COMPUTER HARDWARE; PARALLEL ALGORITHMS;

COMPUTER ARCHITECTURE;

EID: 75749123077     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3276157     Document Type: Article

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