The parallel implementation of a full configuration interaction program

Journal of Chemical Physics

Volumn 119, Issue 1, 2003, Pages 47-59

  Gan, Zhengting ^a   Alexeev, Yuri ^a,b   Gordon, Mark S ^a,b   Kendall, Ricky A ^a,c  

^a IOWA STATE UNIVERSITY   (United States)

^b IOWA STATE UNIVERSITY   (United States)

^c Iowa State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER ARCHITECTURE; COMPUTER HARDWARE; COMPUTER WORKSTATIONS; FORTRAN (PROGRAMMING LANGUAGE); HAMILTONIANS; MATRIX ALGEBRA; PARALLEL PROCESSING SYSTEMS;

COMPLETE-ACTIVE SPACE SELF-CONSISTENT FIELD; CONFIGURATION STATE FUNCTIONS; DISTRIBUTED DATA INTERFACE; FULL CONFIGURATION INTERACTION; SCHRODINGER EQUATION;

ELECTRON TRANSPORT PROPERTIES;

EID: 0037770041     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1575193     Document Type: Article

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