Direct perturbation theory in terms of energy derivatives: Fourth-order relativistic corrections at the Hartree-Fock level

Journal of Chemical Physics

Volumn 134, Issue 6, 2011, Pages

  Stopkowicz, Stella ^a   Gauss, Jürgen ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL PROGRAMS; CHEMICAL TREATMENTS; DERIVATIVE TECHNIQUE; ENERGY CORRECTION; ENERGY DERIVATIVES; FOURTH-ORDER; HARTREE-FOCK LEVELS; HIGHER ORDER; LAGRANGIAN; NONRELATIVISTIC; PERTURBATION PARAMETERS; PERTURBATION THEORY; PROGRAM PACKAGES; RELATIVISTIC CORRECTION; RELATIVISTIC EFFECTS; SECOND DERIVATIVES; SPEED OF LIGHT; SPIN ORBITS;

MOLECULAR PHYSICS; QUANTUM CHEMISTRY; SOFTWARE PACKAGES;

PERTURBATION TECHNIQUES;

ARTICLE; CHEMICAL MODEL; COMPUTER PROGRAM; QUANTUM THEORY;

MODELS, CHEMICAL; QUANTUM THEORY; SOFTWARE;

EID: 79951795532     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3522766     Document Type: Article

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