Calibrating quantum chemistry: A multi-teraflop, parallel-vector, full-configuration interaction program for the Cray-X1

Proceedings of the ACM/IEEE 2005 Supercomputing Conference, SC'05

Volumn 2005, Issue , 2005, Pages

  Gan, Zhengting ^a   Harrison, Robert J ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CALIBRATION; EIGENVALUES AND EIGENFUNCTIONS; INPUT OUTPUT PROGRAMS; ITERATIVE METHODS; QUANTUM THEORY;

ITERATIVE DIAGONALIZATION METHOD; MEMORY REQUIREMENT; QUANTUM CHEMISTRY;

NATURAL SCIENCES COMPUTING;

EID: 33845400209     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/SC.2005.17     Document Type: Conference Paper

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