An efficient numerical quadrature for the calculation of the potential energy of wavefunctions expressed in the Daubechies wavelet basis

Journal of Computational Physics

Volumn 217, Issue 2, 2006, Pages 312-339

  Neelov, A I ^a   Goedecker, S ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

Author keywords

Adaptivity; Daubechies wavelets; Electronic structure; Multiresolution; Numerical quadrature; Orthogonal wavelets; Potential energy operator; Real space methods; Schroedinger equation

Indexed keywords

DISCRETE WAVELET TRANSFORMS; GROUND STATE; MOLECULAR PHYSICS; NUMERICAL METHODS; ORTHOGONAL FUNCTIONS; POTENTIAL ENERGY;

ADAPTIVITY; DAUBECHIES WAVELET; ELECTRONIC.STRUCTURE; ENERGY OPERATORS; MULTIRESOLUTION; NUMERICAL QUADRATURE; ORTHOGONAL WAVELETS; POTENTIAL ENERGY OPERATOR; REAL SPACE METHODS; SCHROEDINGER EQUATIONS;

ELECTRONIC STRUCTURE;

EID: 33748429938     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2006.01.003     Document Type: Article

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