/ImplementingDFT

Draft for my book about implementing density functional theory

Primary LanguageJulia

DRAFT BOOK

A very rough draft for a book entitled:

Implementing Density Functional Theory Calculations.

Authors: Fadjar Fathurrahman and Hermawan Kresno Dipojono.

Affiliation: Dept. of Engineering Physics. Institut Teknologi Bandung. Bandung, West Java, Indonesia.

In this book, we tried to explore how to implement density functional theory calculations using (mainly) finite difference method. The programs are written in Julia programming language.

We hope this books can be useful for beginners trying to implement their own electronic structure package.

The references are not yet complete. Many works should be cited.