Analytic high-order Douglas-Kroll-Hess electric field gradients

Journal of Chemical Physics

Volumn 127, Issue 7, 2007, Pages

  Mastalerz, Remigius ^a   Barone, Giampaolo ^b   Lindh, Roland ^c   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF PALERMO   (Italy)

^c LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC FIELD EFFECTS; HYDROGEN; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; NUMERICAL METHODS; RELIABILITY THEORY;

ELECTRIC FIELD GRADIENTS; HIGH-ORDER DOUGLAS-KROLL-HESS;

MOLECULAR STRUCTURE;

EID: 34548128304     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2761880     Document Type: Article

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