## Abstract We explore the use of density functionals in calculating the equilibrium distances, dissociation energies, and harmonic vibrational frequencies of the homonuclear diatomics of the secondβrow transition metals, platinum, and gold. The outermost __s__β__d__ interconfigurational energies (
β¦ LIBER β¦
An investigation of density functionals: The first-row transition metal dimer calculations
β Scribed by Yanagisawa, Susumu; Tsuneda, Takao; Hirao, Kimihiko
- Book ID
- 121655854
- Publisher
- American Institute of Physics
- Year
- 2000
- Tongue
- English
- Weight
- 283 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.480546
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