A new type of wavefunction for BH
β Scribed by R.J. Blint; W.A. Goddard III; R.C. Ladner; W.E. Palke
- Book ID
- 103010950
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 542 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
The wavefunct~ons of BH have been obtained using a generalization of the vaience bond znd Nartree-Fock methods know-n as the Spin-Coupling Optimized GI (SOGI) method. The shapes of the bonding and especially the nonbonding orbitals are discussed as are severai properties of the moIecule.
π SIMILAR VOLUMES
An extended configuration interaction calculation of the wavefunction and potential curve for the l3 LCf stnte of BH reveals that this state has a double minimum in its potential curve somewhat anaiogous to the E 3 Flz+ state of H2. Only tbc transitions to levels in the inner minimum have yet been o