Efficient algorithm of the transcorrelated method for periodic systems

Journal of Chemical Physics

Volumn 136, Issue 9, 2012, Pages

  Ochi, Masayuki ^a   Sodeyama, Keitaro ^b,c   Sakuma, Rei ^d,e   Tsuneyuki, Shinji ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d CHIBA UNIVERSITY   (Japan)

^e NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; CELL PARAMETER; COMPUTATIONAL COSTS; EFFICIENT ALGORITHM; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES; GAUSSIAN BASIS SETS; HARTREE-FOCK METHODS; MANY BODY WAVE FUNCTIONS; ORBITALS; PLANE WAVE; PLANE WAVE BASIS; SELF-CONSISTENT FIELD; SLATER DETERMINANTS;

CALCULATIONS; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

ALGORITHMS;

EID: 84858182879     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3689440     Document Type: Article

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