An SCF and CI study of the properties of the HCl and CI2 molecules
β Scribed by J.H. Williams; R.D. Amos
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- English
- Weight
- 326 KB
- Volume
- 70
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
The onc-elcctron propcrtlcs and polarlzabllltxs of the HCI and Cl2 molecules have been calculated using both SCF and Cl wnvcfunctlons
Agreement wtb experunental data. where such data east, 1s found to be very good
π SIMILAR VOLUMES
The energies of electronic state of SO:+ at three different geometries have been calculated using a correlated wavefunction. These calculations are discussed in connection with recent results obtained by double-photoionization, double-charge-transfer and double-mass-spectrometry experiments. Our res
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