𝔖 Bobbio Scriptorium
✦   LIBER   ✦

CI (CIPSI) calculations of the vertical ionization and excitation energies of the formamide molecule

✍ Scribed by Esther Oliveros; Monique Riviere; Christian Teichteil; Jean-Paul Malrieu

Book ID
107731695
Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
375 KB
Volume
57
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

A CI non-empirical pseudopotential calcu
A CI non-empirical pseudopotential calculation of the vertical valence excited states of the iodine molecule
✍ Christian Teichteil; Jean Paul Malrieu πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 477 KB

The nonempiriclll atomic pscudopotential proposed by Durand and Barth&t has been used, together with the CIPSI algorithm for large scale CI, to calculate the vertical transition energies of the iodine molecule, in a valence extended (double-zeta + d) basis set. All the valence excited states were co