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First-principles methods for tight-binding molecular dynamics

✍ Scribed by José Ortega

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Optimized atomic-like orbitals for first

✍ M.A. Basanta; Y.J. Dappe; P. Jelínek; J. Ortega 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 197 KB

The tight-binding method for interpolati

✍ D. A. Papaconstantopoulos; M. J. Mehl 📂 Article 📅 1997 🏛 ASM International 🌐 English ⚖ 371 KB

Order-N tight-binding methods for electr

✍ Pablo Ordejón 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 602 KB

Tight-binding molecular dynamics for mat

✍ Wang, C. Z. ;Ho, K. M. 📂 Article 📅 1996 🏛 Springer 🌐 English ⚖ 659 KB

Efficient Linear Scaling Algorithm for T

✍ Goedecker, S.; Colombo, L. 📂 Article 📅 1994 🏛 The American Physical Society 🌐 English ⚖ 241 KB

A source code for tight-binding molecula

✍ Luciano Colombo 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 117 KB