Open AccessComment on ‘‘A proposal for the proper use of pseudopotentials in molecular orbital cluster model studies of chemisorption’’
Author(s) -
G. Igel-Mann,
Hermann Stoll
Publication year - 1985
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.449460
Subject(s) - pseudopotential , basis set , cluster (spacecraft) , chemisorption , core (optical fiber) , basis (linear algebra) , chemistry , molecular orbital , set (abstract data type) , atomic physics , computational chemistry , physics , density functional theory , molecule , quantum mechanics , mathematics , geometry , computer science , adsorption , optics , programming language
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