✦ LIBER ✦
On the behaviour of exchange in restricted hartree-fock-roothaan calculations for periodic polymers
✍ Scribed by Lucjan Piela; Jean-Marie André; Joseph G. Fripiat; Joseph Delhalle
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 806 KB
- Volume
- 77
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Analysis of the restrIcted Hartree-Fock (RHF) ewhange potentml IS presented. In po1ymer.c chams, a reIatmn between the short-rangeness of the exchange and the ener_w gap IS observed. In metalhc systems, the exchange IS of long-range and correlation corrections are expected to be unportant The vahdlty of RHF solutions III metalhc sltuatlons IS oonsrdered