## 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
A local density functional—LCAO method with effective potentials for obtaining the electronic structure of molecules and clusters
✍ Scribed by S.H. Lamson; R.P. Messmer
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 512 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0009-2614
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