Valence-electron-only calculations of el
โ
M Kleiner; R McWeeny
๐
Article
๐
1973
๐
Elsevier Science
๐
English
โ 361 KB
The method of pseudopotentials is re-esamined using the brn and McWeeny formulation, and used in valenceelectron-only (VEO) alculationt on the molecules formaldehyde and sodium chloride. The valence electron distribution snd energy levels ~2 in good apccment with those obtained from more complete ca