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Core-Hole Screening in Small Metallic Particles as a Function of Core-Hole Position

โœ Scribed by N. J. Castellani; D. B. Leroy; W. Lambrecht


Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
224 KB
Volume
129
Category
Article
ISSN
0370-1972

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The application of effective core potent
โœ Joseph J. Belbruno ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 137 KB ๐Ÿ‘ 2 views

## Geometric parameters and energies have been calculated for the ground and first excited states of the gold dimer using effective core potentials (ECPs) and a range of standard density functional theory (DFT) models. After initial evaluation, the B3P86 theoretical model was the procedure employed