Basis set limit Hartree-Fock and density functional theory response property evaluation by multiresolution multiwavelet basis

Journal of Chemical Physics

Volumn 129, Issue 3, 2008, Pages

  Sekino, Hideo ^a   Maeda, Yasuyuki ^a   Yanai, Takeshi ^b   Harrison, Robert J ^c,d  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; ERROR ANALYSIS; MOLECULAR PHYSICS; MULTIRESOLUTION ANALYSIS; PROBABILITY DENSITY FUNCTION; SET THEORY; SURFACE STRUCTURE;

AMERICAN INSTITUTE OF PHYSICS (AIP); BASIS SETS; DENSITY OPERATORS; DENSITY-FUNCTIONAL (DF); GAUSSIAN; HARTREE FOCK (HF); KOHN-SHAM (KS) DENSITY; MULTI-WAVELET; MULTIRESOLUTION (MR); PROPERTY EVALUATION; REAL-SPACE; RESPONSE PROPERTIES; SMALL MOLECULES; ZEROTH ORDER;

DENSITY FUNCTIONAL THEORY;

EID: 47849121770     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2955730     Document Type: Article

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