Coupled cluster investigation of Sternheimer shieldings and electric field gradient polarizabilities

Journal of Chemical Physics

Volumn 113, Issue 5, 2000, Pages 1688-1697

  Coriani, Sonia ^a   Halkier, Asger ^a,e   Jørgensen, Poul ^a   Gauss, Jürgen ^b   Christiansen, Ove ^b,c   Rizzo, Antonio ^d  

^a AARHUS UNIVERSITY   (Denmark)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

^c LUND UNIVERSITY   (Sweden)

^d CNR   (Italy)

^e UTRECHT UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; CYANIDES; ELECTRIC FIELD EFFECTS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HYDROCARBONS; HYDROGEN INORGANIC COMPOUNDS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NITROGEN; NUMERICAL METHODS; POLARIZATION;

CORE VALENCE; COUPLED CLUSTER; ELECTRIC FIELD GRADIENT POLARIZABILITIES; NUCLEI; STERNHEIMER SHIELDINGS;

MOLECULES;

EID: 0034248658     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481970     Document Type: Article

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