𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Simple model for the total energy of noble metals

✍ Scribed by J. Kollár; G. Solt


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
359 KB
Volume
37
Category
Article
ISSN
0022-3697

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


The gradient of the total energy for met
✍ Miklos Kertesz 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 243 KB

## A new term occurs in Ihe evprsssion for the gradient of the total encr\_ey in Hartree-Fock thsory with respecr to the nuclear coordinates for systems with psrtially filled energy bands. This is due to the chzuqes of the ground s131e contigumtion upon geometry for metals; the numerical work to e