Calculated energies for doubly excited states of Ne
โ Scribed by L.A. Parcell; J. Langlois; J.M. Sichel
- Publisher
- Elsevier Science
- Year
- 1974
- Tongue
- English
- Weight
- 303 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0009-2614
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๐ 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
The energies of the lowest singlet (S,) and triplet ( T I ) states of 28 molecules have been calculated by the " half-electron'' (MNDO-HE) and spin-unrestricted (UMNDO) versions of MNDO. While most of the calculated values are too negative, because of overestimation of the correlation energy in MNDO
Ab initio molecular electronic structure theory has been applied to the r.ine lowest potential energy surfaces of NezF. A valence double zeta basis set was used in conjunction ti,th first-order configuration interaction wavefunctions. In analogy with the results of Wadt and Hay for Ar2 F, the 2 2B2