Ultrasoft pseudopotentials for lanthanide solvation complexes: Core or valence character of the 4f electrons

Journal of Chemical Physics

Volumn 124, Issue 16, 2006, Pages

  Pollet, Rodolphe ^a   Clavaguéra, Carine ^a   Dognon, Jean Pierre ^a  

^a Centre d Etudes Nucléaires de Saclay   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHARGE TRANSFER; COMPLEXATION; OPTIMIZATION; POLARIZATION; POTENTIAL ENERGY; QUANTUM THEORY;

INTERACTION ENERGIES; LANTHANIDE SOLVATION; PSEUDOPOTENTIALS; QUANTUM CHEMICAL MP2;

LANTHANUM COMPOUNDS;

EID: 34547648594     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2191498     Document Type: Article

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