Exploring the accuracy of relative molecular energies with local correlation theory

Journal of Physics Condensed Matter

Volumn 20, Issue 29, 2008, Pages

  Subotnik, Joseph E ^a   Head Gordon, Martin ^b,c  

^a TEL AVIV UNIVERSITY   (Israel)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION THEORY; ELECTRON CORRELATIONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

ATOMIZATION ENERGIES; BARRIER HEIGHT (BH); CONFORMATIONAL ENERGIES; COUPLED CLUSTER SINGLES; ELECTRON ELECTRON CORRELATIONS; ENERGY SURFACES; ISOMERIZATION ENERGIES; LINEAR SCALING ALGORITHM; LOCAL CORRELATIONS; LOCAL MODELING; MOLECULAR ENERGIES; RELATIVE ENERGIES;

CORRELATION METHODS;

EID: 47249118330     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/29/294211     Document Type: Conference Paper

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