Ab initio two-component relativistic method including spin-orbit coupling using the regular approximation

Journal of Chemical Physics

Volumn 113, Issue 10, 2000, Pages 4052-4059

  Faas, S ^a   Van Lenthe, J H ^a   Hennum, A C ^a,c   Snijders, J G ^b  

^a UTRECHT UNIVERSITY   (Netherlands)

^b UNIVERSITY OF GRONINGEN   (Netherlands)

^c UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BISMUTH; CHEMICAL BONDS; ELECTRONIC STRUCTURE; ERROR ANALYSIS; FUNCTIONS; GOLD COMPOUNDS; IODINE COMPOUNDS; MATRIX ALGEBRA; MOLECULAR STRUCTURE; SILVER COMPOUNDS; THALLIUM COMPOUNDS;

COULOMB MATRIX; DENSITY FUNCTIONAL THEORY; DIRAC-FOCK THEORY; QUANTUM ELECTRODYNAMICS; ZEROTH-ORDER REGULAR APPROXIMATION (ZORA) THEORY;

QUANTUM THEORY;

EID: 0034622757     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1288387     Document Type: Article

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