Automatic code generation in density functional theory

DOI10.1016/S0010-4655(01)00148-5zbMath0973.81143OpenAlexW2013341293WikidataQ58228081 ScholiaQ58228081MaRDI QIDQ5938261

R. Strange, Peter J. Knowles, F. R. Manby

Publication date: 9 December 2001

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(01)00148-5

zbMATH Keywords

Bourne shelldfautoexchange-correlation kernelFortran codeintegration gridKohn-Sham programLA\TeX\ documentationMaple

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Many-body theory; quantum Hall effect (81V70) Statistical mechanics of solids (82D20)

Related Items (1)

dfauto

Uses Software

• Unnamed Item
• MOLPRO
• LaTeX

Cites Work

• Unnamed Item

This page was built for publication: Automatic code generation in density functional theory