𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Pathological aspects of restricted Hartree–Fock band calculations for metallic chains

✍ Scribed by Joseph Delhalle; Jean-Louis Calais


Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
689 KB
Volume
32
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


On the behaviour of exchange in restrict
✍ Lucjan Piela; Jean-Marie André; Joseph G. Fripiat; Joseph Delhalle 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 806 KB

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 vahdl

An instability condition for the Hartree
✍ Kazuyoshi Tanaka; Mayumi Okada; Yuanhe Huang; Takao Yoshii; Akihiro Ito 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 227 KB 👁 2 views

An instability condition is derived for the Hartree-Fock solution so that it can be applied to the system in which the highest occupied and the lowest unoccupied bands cross at the in-between point in the Brillouin zone. The instability check developed here is further applied to a metallic single-wa