Computational aspects of polymer band structure calculations by the Fourier space restricted Hartree-Fock method

International Journal of Quantum Chemistry

Volumn 80, Issue 4-5, 2000, Pages 856-862

  Fripiat, Joseph G ^a   Flamant, Isabelle ^a   Harris, Frank E ^b,c   Delhalle, Joseph ^a  

^a UNIVERSITY OF NAMUR   (Belgium)

^b UNIVERSITY OF UTAH   (United States)

^c UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CONVERGENCE OF NUMERICAL METHODS; ELECTRONIC STRUCTURE; FOURIER TRANSFORMS; INTEGRATION; POLYMERS;

FOURIER SPACE METHOD; RESTRICTED HARTREE-FOCK EQUATIONS;

BAND STRUCTURE;

EID: 0034322151     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-461x(2000)80:4/5<856::aid-qua35>3.0.co;2-9     Document Type: Article

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