Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd

Journal of Chemical Physics

Volumn 126, Issue 12, 2007, Pages

  Peterson, Kirk A ^a   Figgen, Detlev ^b   Dolg, Michael ^c   Stoll, Hermann ^b  

^a WASHINGTON STATE UNIVERSITY   (United States)

^b UNIVERSITY OF STUTTGART   (Germany)

^c UNIVERSITY OF COLOGNE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC VALENCE SPECTRA; DIRAC-COULOMB HAMILTONIANS; DIRAC-HARTREE-FOCK LEVEL; NUMERICAL TWO-COMPONENT CALCULATIONS;

COMPUTER SIMULATION; COULOMB BLOCKADE; ELECTRONS; HAMILTONIANS; NUMERICAL METHODS; PERTURBATION TECHNIQUES; SET THEORY; TRANSITION METALS;

POTENTIAL ENERGY;

EID: 34047140309     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2647019     Document Type: Article

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