The core potentials for atoms of atomic numer 1-18 fitted to ion spectra by Chang, Habitz, Pittel, and Schwarz have been extended to the molecular case in a Gaussian lobe basis by using a six-Gaussian (6G-POT) representation for the exponential factors of the atomic core potentials. In a ( 9 s / 5 p
Franck—Condon integrals over a sturmian basis. An application to photoelectron spectra of H2 and N2
✍ Scribed by Ersin Yurtsever
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 367 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Recewcd 22 Aprd 1982 The cfficlency of a sturmian basis for solution of the oncduncnslonal Schrodmgcr cquatlon has been dcmonslraled. Hcrc formulas for Franck-Condon overlaps are given. These integrals do not prescni any numcrrc.A problem. Usmg Morse potcn-MS, Rmck-Condon factors for tractions to mtensmes 'Xi of H,', %i and z flu of Nf are computed and compared to chperuncntal
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