A Hartree-Fock calculation of excited states of O16
β Scribed by W.H. Bassichis; G. Ripka
- Publisher
- Elsevier Science
- Year
- 1965
- Weight
- 219 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0031-9163
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π SIMILAR VOLUMES
Hartree-Fock energies of the ls2 2s 2p ns(4P), ls2 2s 2p np(4P, 4D) and 1 ~2 2 s 2pnd(4P, 4D); n = 3--6 states in the boron isoelectronic sequence are reported. The results show a fairly good agreement with the experimental data of Bromander for 0 IV. Hartree-Fock-Energien der doppelt angeregten Niv
An expression ior the transition matrix element between excited states is given in terms of the solutions to the time-dependent Ha-tree-Fock eigenvalue ditierendal equations. Some dipc4e oscillator saengths and transirioo moments are evaluated for members of the helium isoelectronic sequence.
## Abstract When using quantum chemistry techniques to calculate the energetics of bulk crystals, there is a need to calculate the HartreeβFock (HF) energy of the crystal at the basisβset limit. We describe a strategy for achieving this, which exploits the fact that the HF energy of crystals can no