Mixed approach to incorporate self-consistency into order-N LCAO methods

Materials Research Society Symposium - Proceedings

Volumn 408, Issue , 1996, Pages 85-90

  Ordejon, Pablo ^a   Artacho, E ^a   Soler, J M ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CARBON; CONVERGENCE OF NUMERICAL METHODS; DNA; ELECTRONIC STRUCTURE; FUNCTIONS; QUANTUM THEORY; SILICON;

ATOMIC ORBITALS; DENSITY FUNCTIONAL THEORY; DNA PERIODIC CHAIN; HAMILTONIAN INTEGRALS; LINEAR COMBINATION OF ATOMIC ORBITALS; LOCAL DENSITY APPROXIMATIONS; LOCALIZED WAVE FUNCTIONS;

MOLECULAR DYNAMICS;

EID: 0030314047     PISSN: 02729172     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (11)