Combined SCF and CI calculations of the spectrum of SiH
β Scribed by B. Wirsam
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 244 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Open shell SCF and internal CT1 calculations have been perforrucd for seven shakeup confiiuraticns of H20. SCF calculations WI aI least one ot lhc two doublet St;tiCS were carried out for each shake-up conf@uration. The internal Cl caIculations were pcrfurrued using appropriate MO's. In ;IIl configu
SCF and limited CI czdculstions have been performed for a number of excited states of doubly ionized water. The c-alcuhtions rrliotvcd an assignment of both the Auger spectrum and most of the satellites in the soft X-ray spectrum. The assignment for the two highest \_ceaks in the Auger spectrum was
Ab initio SCF MO and CI calculations on acetylene in linear and bent conformations are reported. It is found that acetylene possesses stable truns-and c&-isomers for most of its low-lying electronicatly excited states.. The calculated transition energies are discussed in relation to the observed opt
Various electronically excited states of pyrrole have been studied by ab initio SCF and CI calculations including rr -. n\* and zr -Rydberg excitatiorz Optically allowed vaIenc= type transitions are found at energies higher Thea 65 eV\_ whereas all the Iower singIet states are of Rydberg type. In ad