𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Order-N tight-binding methods for electronic-structure and molecular dynamics

✍ Scribed by Pablo Ordejón

Book ID
117627297
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
602 KB
Volume
12
Category
Article
ISSN
0927-0256

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Order-N tight-binding molecular dynamics
Order-N tight-binding molecular dynamics on parallel computers
✍ Satoshi Itoh; Pablo Ordejón; Richard M. Martin 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 995 KB

A recently proposed order-N method for tight-binding molecular dynamics is implemented on parallel machines. The Fortran code, written for the parallel computer CM-5, uses a general message passing library, being therefore highly portable. The main subjects of this implementation, which are matrix p

Molecular tight-binding method. II. One-
Molecular tight-binding method. II. One- and many-electron method for excess electron bands of molecular crystals
✍ Leszek Z. Stolarczyk 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 389 KB

## Abstract An __ab initio__ method for calculating the energies of excess‐electron bands in a molecular crystal is developed. These energies represent the electron affinities of a crystal. The present method employs a tight‐binding approximation to describe the molecules in a crystal and a set of