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Study of the validity of the local density approximation in calculating stopping power and related quantities

โœ Scribed by A. Sarasola; J.D. Fuhr; V.H. Ponce; A. Arnau

Book ID
114164954
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
96 KB
Volume
182
Category
Article
ISSN
0168-583X

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Study of transition-state methods in the
Study of transition-state methods in the calculation of vertical ionization potentials by local density approximation
โœ Patrick Duffy; Delano P. Chong ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 428 KB

The vertical ionization potentials of nine small molecules were computed by the deMon density functional program and different versions of the transition-state method and the results were compared with earlier calculations and with experiment. The average absolute deviation of the 38 computed ioniza