Long-range interactions in embedded ionic cluster calculations

International Journal of Quantum Chemistry

Volumn 96, Issue 5, 2004, Pages 483-491

  Quintanar, Carlos ^a   Caballero, Reyna ^b   Köster, Andreas M ^c  

^a CENTRO DE FÍSICA APLICADA Y TECNOLOGÍA AVANZADA   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^c DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

Coulomb interactions; Density functional theory; Embedded ionic clusters; Evjen cube summation; Long range interactions; Madelung potential

Indexed keywords

COULOMB INTERACTION; DENSITY FUNCTIONAL THEORY; EMBEDDED IONIC CLUSTER; EVJEN CUBE SUMMATION; LONG-RANGE INTERACTION; MADELUNG POTENTIAL;

ATOMS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SODIUM COMPOUNDS;

QUANTUM THEORY;

EID: 1142267483     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10821     Document Type: Article

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