Black-box hartree-fock solver by tensor numerical methods

Computational Methods in Applied Mathematics

Volumn 14, Issue 1, 2014, Pages 89-111

  Khoromskaia, Venera ^a  

^a MAX PLANCK INSTITUTE FOR MATHEMATICS IN THE SCIENCES   (Germany)

Author keywords

3D Grid Based Tensor Approximation; Core Hamiltonian; Fock Operator; Hartree Fock Equation; Hartree Fock Solver; Quantized Tensor Approximation; Tensor Structured Numerical Methods; Two Electron Integrals

Indexed keywords

AMINO ACIDS; BENCHMARKING; CALCULATIONS; CONVOLUTION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION; MOLECULAR PHYSICS; NUMERICAL METHODS; QUANTUM CHEMISTRY; TENSORS; THREE DIMENSIONAL;

FOCK OPERATORS; HARTREE-FOCK; HARTREE-FOCK EQUATIONS; TENSOR APPROXIMATION; TWO-ELECTRON INTEGRALS;

HAMILTONIANS;

EID: 84898646167     PISSN: 16094840     EISSN: 16099389     Source Type: Journal    
DOI: 10.1515/cmam-2013-0023     Document Type: Article

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