✦ LIBER ✦

Local Density Approximation Total Energy Calculations for Silica and Titania Structure and Defects

✍ Scribed by Douglas C. Allan; Michael P. Teter

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Total energy pseudopotential calculation

✍ V. Louis-Achille; L.De Windt; M. Defranceschi 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 629 KB

Inducing energy gaps in monolayer and bi

✍ Ribeiro, R.; Peres, N.; Coutinho, J.; Briddon, P. 📂 Article 📅 2008 🏛 The American Physical Society 🌐 English ⚖ 311 KB

Band-structure calculation for GaAs and

✍ Manghi, F.; Riegler, G.; Bertoni, C.; Bachelet, G. 📂 Article 📅 1985 🏛 The American Physical Society 🌐 English ⚖ 586 KB

Density-functional calculations for III-

✍ Stampfl, C.; Van de Walle, C. G. 📂 Article 📅 1999 🏛 The American Physical Society 🌐 English ⚖ 426 KB

A local approximation for exchange and c

✍ Luiz G. Ferreira 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 491 KB

Electronic structure and total energy ca

✍ Alfred C. Switendick 📂 Article 📅 1987 🏛 Elsevier Science ⚖ 644 KB