Complete Cl calculations on the ground state of HeH
β Scribed by D.B. Knowles; J.N. Murrell; J.P. Braga
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 296 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
a) In atomic units (27.2 eV) relative to Be++.
The dissociation curve and spectroscopic properties for the 0: gound state of Biz have been computed from configuration interaction calculations including relativistic effects. The Dzand we values are in good areement with experiment. The spin-orbit coupling mixes in subsianrial 3~g character (about
A comparison is presented for the ground state of the helium atom of high order Rayleigh-Schri)dinger perturbation theories based upon a hydrogenic. a screened hydrogenic, a Hartree and a modified Hartree local zero-order hamiltonian. The hydrogenic zero-order schemes are superior tc the Hartree zer
## Abstract By means of the ΞSCF and transition operator (TO) methods based on a recently developed INDO extension to the first transition metal series, the first ionization potentials of benzeneβchromium tricarbonyl (**I**), cyclopentadienyl manganese tricarbonyl (**II**), the ironβtricarbonyl com