Benchmark calculations on the adiabatic ionization potentials of M-N H3 (M=Na,Al,Ga,In,Cu,Ag)

Journal of Chemical Physics

Volumn 128, Issue 15, 2008, Pages

  Li, Shenggang ^a   Peterson, Kirk A ^b   Dixon, David A ^a  

^a UNIVERSITY OF ALABAMA   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; GROUND STATE; KINETIC ENERGY; METAL COMPLEXES; PHOTOELECTRON SPECTROSCOPY;

ADIABATIC IONIZATION POTENTIALS; CORE-VALENCE; SCALAR RELATIVISTIC;

IONIZATION POTENTIAL;

EID: 42449160672     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2834923     Document Type: Article

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