✦ LIBER ✦

Overlapping spheres multiple scattering Xα calculations of the ionization potentials and electron affinities of nitrogen oxides

✍ Scribed by J.E. Bloor; R.E. Sherrod; R.A. Paysen

Publisher: Elsevier Science
Year: 1978
Tongue: English
Weight: 423 KB
Volume: 54
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(78)80108-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Overlapping spheres Xα calculatons of th

Overlapping spheres Xα calculatons of the electron affinities and ionization potentials of ethylene, parabenzoquinone and their perfluoro derivatives

✍ J.E. Bloor; R.A. Paysen; R.E. Sherrod 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 626 KB

Calculation of the electronic structure

Calculation of the electronic structure of formaldehyde using overlapping spheres in the SCF Xα scattered-wave method

✍ I.P. Batra; O. Robaux 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 308 KB

It Ius recently been established that physiul realism of the resu!ts can be irnprov-d within the framework of the self-consistent statist&l exctiange multiple scattering wave method if the atomic spheres are allowed to overkp. Here we report that by semi-empirically adjust% the overlap of the atomic