𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Sac ci calculations of the electron affinity of HCO

✍ Scribed by H. Wasada; K. Hirao

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
330 KB
Volume
139
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Ab initio calculations of HCO and HCO-were carried out by using a cluster expansion of the wavefunction theory. The adiabatic electron affinity of HCO was calculated to be +0.005 eV.

πŸ“œ SIMILAR VOLUMES

Full CI and SAC CI calculations for ioni
Full CI and SAC CI calculations for ionized states, electron-attached states and triplet excited states of H2O
✍ K. Hirao; Y. Hatano πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 474 KB

Full CI calculations are performed for ionized states, electronattached states and triplet excited states of HzO. The calcularions are compared with our recently developed SAC CI results. The trends of the results are found to be encoura\_ging.

SAC-CI and full-CI calculations for the
SAC-CI and full-CI calculations for the singlet and triplet excited states of H2O
✍ Hiroshi Nakatsuji; Kimihiko Hirao; Yoshihiro Mizukami πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 275 KB

The accuracy of the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method is examined for the singlet and triplet excited states of Hz0 by comparison with the full-Cl results for the [4s2p] basis set. The SAC-C1 results for the excitation energy agree with the full-Cl results to within

Electron propagator calculations on the
Electron propagator calculations on the electron affinity of C5
✍ J.V. Ortiz πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 415 KB

The vertical electron detachment energy of Cc and the adiabatic electron affinity of Cs are calculated with ab initio electron propagator methods. The former energy difference is 2.86 eV and the latter is 2.82 eV. These values are in close agreement with recent experimental determinations. Structura