The accuracy of the pseudopotential approximation. III. A comparison between pseudopotential and all-electron methods for Au and AuH

Journal of Chemical Physics

Volumn 113, Issue 17, 2000, Pages 7110-7118

  Schwerdtfeger, Peter ^a  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; EIGENVALUES AND EIGENFUNCTIONS; GOLD; GOLD COMPOUNDS; GROUND STATE; IONIZATION OF SOLIDS; MOLECULAR SPECTROSCOPY;

HARTREE-FOCK METHODS; PSEUDOPOTENTIAL APPROXIMATIONS; SECOND-ORDER MOLLER-PLESSET METHODS;

MOLECULAR DYNAMICS;

EID: 0034319426     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1313556     Document Type: Article

References (1)

1. P. Schwerdtfeger, T. Fischer, M. Dolg, G. Igel-Mann, A. Nicklass, H. Stoll, and A. Haaland, J. Chem. Phys. 102, 2050 (1995).