✦ LIBER ✦

Calculation of the total energy of a metal

✍ Scribed by J. Callaway; X. Zou; D. Bagayoko

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 170 KB
Volume: 89
Category: Article
ISSN: 0375-9601
DOI: 10.1016/0375-9601(82)90512-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio total energy calculation of th

Ab initio total energy calculation of the dynamical stability of noble metal carbides

✍ Himadri R. Soni; Sanjeev K. Gupta; Prafulla K. Jha 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 643 KB

Total-energy calculations for point defe

Total-energy calculations for point defects in metals

✍ P.H. Dederichs; T. Hoshino; B. Drittler; K. Abraham; R. Zeller 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 528 KB

On the calculation of the energy of a Bl

On the calculation of the energy of a Bloch wave in a metal

✍ J Korringa 📂 Article 📅 1947 🏛 Elsevier Science ⚖ 358 KB

The gradient of the total energy for met

The gradient of the total energy for metals

✍ 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

A first principle calculation of the tot

A first principle calculation of the total binding energy and c/a ratio of magnesium

✍ W.F. King; P.H. Cutler 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 123 KB

Variational calculation of metal surface

Variational calculation of metal surface energies

✍ V. Sahni; J. Gruenebaum 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 235 KB