✦ LIBER ✦

Accurate core binding energies of ions from Dirac-Fock calculations combined with experimental atomic binding energies

✍ Scribed by M.S. Banna; R.J. Key; C.S. Ewig

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 543 KB
Volume: 26
Category: Article
ISSN: 0368-2048
DOI: 10.1016/0368-2048(82)85033-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Relativistic core binding energies of se

Relativistic core binding energies of selected atoms: Comparison with experiment and other calculations

✍ R.J. Key; M.S. Banna; C.S. Ewig 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 473 KB

Accurate density-functional calculation

Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. Twelve test cases and application to three C2H4O2 isomers

✍ Delano P. Chong; Ching-Han Hu; Patrick Duffy 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 317 KB

A scaling procedure based on Clementi and Raimoodi's rules for atomic screening was proposed for atomic orbital basis sets in the unrestricted generalized transition state (uGTS) model of density functional calculation of core-electron binding energies (CEBEs). The exchange-correlation potential is