Electric field gradients from shifted-nucleus calculations: An alternative to the point charge nuclear quadrupole moment model

Journal of Chemical Physics

Volumn 120, Issue 19, 2004, Pages 9424-9426

  Kellö, Vladimir ^a   Sadlej, Andrzej J ^b  

^a Physics and Informatics   (Slovakia)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DIFFERENTIATION (CALCULUS); ELECTRIC CHARGE; ELECTRIC FIELDS; FINITE DIFFERENCE METHOD; FUNCTIONS; HAMILTONIANS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; PERTURBATION TECHNIQUES; POLYNOMIALS;

ELECTRIC FIELD GRADIENTS; NUCLEAR CHARGE; OCTAHEDRAL ARRANGEMENTS; POINT CHARGE NUCLEAR QUADRUPOLE MOMENT (PCNQM) MODEL;

ATOMIC PHYSICS;

EID: 2942530657     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1709973     Document Type: Article

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