Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications

Journal of Chemical Physics

Volumn 122, Issue 18, 2005, Pages

  Belpassi, Leonardo ^a   Tarantelli, Francesco ^a   Sgamellotti, Antonio ^a   Quiney, Harry M ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BERTHA (COMPUTER PROGRAM); G-SPINOR BASIS FUNCTIONS; MOLECULAR SYSTEMS; SPECTROSCOPIC CONSTANTS;

ALGORITHMS; COMPUTATIONAL METHODS; ELECTRONIC EQUIPMENT; FUNCTIONS; LARGE SCALE SYSTEMS; MATHEMATICAL MODELS; MATRIX ALGEBRA; NUMERICAL METHODS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SENSITIVITY ANALYSIS; SPECTROSCOPIC ANALYSIS;

MOLECULAR PHYSICS;

EID: 18844398343     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1897383     Document Type: Article

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