Direct perturbation theory in terms of energy derivatives: Scalar-relativistic treatment up to sixth order

Journal of Chemical Physics

Volumn 135, Issue 19, 2011, Pages

  Schwalbach, Werner ^a   Stopkowicz, Stella ^a   Cheng, Lan ^a   Gauss, Jrgen ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC FIELD GRADIENTS; ENERGY CORRECTION; ENERGY DERIVATIVES; FIRST-ORDER; HARTREE-FOCK LEVELS; HYDROGEN HALIDES; MONOTONIC CONVERGENCE; PERTURBATION PARAMETERS; PERTURBATION THEORY; QUANTUM-CHEMICAL CALCULATION; RATE OF CONVERGENCE; RELATIVISTIC EFFECTS;

APPROXIMATION THEORY; BROMINE; CHLORINE; ELECTRIC PROPERTIES; HYDROGEN; QUANTUM CHEMISTRY; TITRATION;

PERTURBATION TECHNIQUES;

HYDROBROMIC ACID; HYDROCHLORIC ACID; HYDROFLUORIC ACID;

ARTICLE; CHEMISTRY; QUANTUM THEORY;

HYDROBROMIC ACID; HYDROCHLORIC ACID; HYDROFLUORIC ACID; QUANTUM THEORY;

EID: 81855185033     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3659316     Document Type: Article

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