Open AccessTheoretical studies of chemisorption on transition metal surfaces: interaction of hydrogen with titanium. Progress report, June 1, 1977--May 31, 1978
Author(s) -
Jerry L. Whitten,
J. D. Doll
Publication year - 1978
Language(s) - English
Resource type - Reports
DOI - 10.2172/6694761
Subject(s) - pseudopotential , chemisorption , atomic orbital , local density approximation , ab initio , chemistry , multipole expansion , wave function , density functional theory , atom (system on chip) , computational chemistry , quantum mechanics , mathematics , physics , electron , adsorption , computer science , embedded system
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