𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The core electron binding energies of oxygen difluoride

✍ Scribed by J.W. Koepke; W.L. Jolly

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
246 KB
Volume
9
Category
Article
ISSN
0368-2048

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Accurate calculation of core-electron bi
Accurate calculation of core-electron binding energies by the density-functional method
✍ Delano P. Chong πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 332 KB

Using a basis set of atomic natural orbitals of valence triple-zeta plus double polarization quality, the core-electron binding energies (CEBEs) ofHF, H20, N2 and CO were computed by the deMon density-functional program with a combined functional of Becke's exchange (B88 ) with Perdew's correlation

Ab initio calculation of core-electron b
Ab initio calculation of core-electron binding energies in small molecules
✍ P.K. Mukherjee; D.P. Chong πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 111 KB

Vertical ionization polenlials for core orbitals of HF. H20. CO. HCN. and H,CO are calculated with nn nh inilio IrJnsifion operator method. followed by Rayleigh-Schradinger pcrlurbalion theory. The rcsul~ are improved by using LI trznsikn nmmic basis se,. Relarivistic corrcclions are eslimnwd. The a