Spectral differences in real-space electronic structure calculations

Journal of Chemical Physics

Volumn 120, Issue 2, 2004, Pages 574-578

  Jordan, D K ^a   Mazziotti, D A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; COMPUTATIONAL METHODS; COMPUTER SOFTWARE; CRYSTAL LATTICES; FAST FOURIER TRANSFORMS; FINITE DIFFERENCE METHOD; FINITE ELEMENT METHOD; KINETIC ENERGY; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; SILICON;

EULER METHOD; REAL SPACE ELECTRONIC STRUCTURE; SPECTRAL DIFFERENCES;

ELECTRONIC STRUCTURE;

BIOPOLYMER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; CRYSTALLOGRAPHY; ELECTROCHEMISTRY; ELECTRONICS; EVALUATION; FINITE ELEMENT ANALYSIS; FOURIER ANALYSIS; METHODOLOGY; SPECTROSCOPY;

BIOPOLYMERS; CHEMISTRY; COMPUTER SIMULATION; CRYSTALLOGRAPHY; ELECTROCHEMISTRY; ELECTRONICS; FINITE ELEMENT ANALYSIS; FOURIER ANALYSIS; METHODS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SPECTRUM ANALYSIS;

EID: 0842290030     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1631916     Document Type: Article

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