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Pseudopotential calculations including core‐valence correlation: Alkali and noble‐metal compounds
Author(s) -
Stoll Hermann,
Szentpály Lászlö V.,
Fuentealba Patricio,
Flad Jürgen,
Dolg Michael,
Fraschio Franzxaver,
Schwerdtfeger Peter,
Igel Gudrun,
Preuss Heinzwerner
Publication year - 1984
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560260512
Subject(s) - pseudopotential , valence (chemistry) , alkali metal , noble metal , core (optical fiber) , chemical physics , materials science , chemistry , metal , atomic physics , molecular physics , physics , metallurgy , composite material , organic chemistry
A summary is given of our recently developed semiempirical pseudopotentials and their applications, and new results are presented on the K 2 molecule.