Simplified implementation of self-interaction correction in sodium clusters

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 62, Issue 5, 2000, Pages 053202-053201

  Ullrich, C A ^a   Reinhard, P G ^b   Suraud, E ^c  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^c CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; GROUND STATE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

GLOBAL AVERAGING METHODS (GAM); LOCAL DENSITY APPROXIMATION (LDA); OPTIMIZED EFFECTIVE POTENTIAL (OEP);

SODIUM;

EID: 4043118043     PISSN: 10502947     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevA.62.053202     Document Type: Article

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43. Here, the integral has been taken over the total grid rather than a smaller analyzing volume, in order to avoid fluctuations on a short time scale. It turns out that the two methods give similar results for the long propagation times studied here (for more details see Ref. [38]).