Exact solution (within a triple-zeta, double polarization basis set) of the electronic Schrödinger equation for water

Journal of Chemical Physics

Volumn 118, Issue 19, 2003, Pages 8551-8554

  Chan, Garnet Kin Lic ^a   Head Gordon, Martin ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ATOMS; CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; NONLINEAR EQUATIONS; PROBLEM SOLVING; WATER;

DENSITY MATRIX RENORMALIZATION GROUP ALGORITHM; ELECTRONIC SCHRODINGER EQUATION; HARTREE-FOCK ORBITALS;

ELECTRONIC STRUCTURE;

EID: 0037526168     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1574318     Document Type: Article

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