Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems

Journal of Chemical Physics

Volumn 126, Issue 4, 2007, Pages

  Calaminici, Patrizia ^a   Janetzko, Florian ^a   Köster, Andreas M ^a   Mejia Olvera, Roberto ^a   Zuniga Gutierrez, Bernardo ^a  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITATION ENERGY; HARMONIC ANALYSIS; OPTIMIZATION; POLARIZATION; TRANSITION METALS;

ATOMIC CALCULATION; DOUBLE ZETA VALENCE POLARIZATION; MOLECULAR CALCULATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 33847739771     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2431643     Document Type: Article

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