Density functional calculation of many-electron systems in Cartesian coordinate grid

DOI10.1007/S10910-011-9851-2zbMath1447.81208arXiv1001.2370OpenAlexW2074994877MaRDI QIDQ645172

Amlan K. Roy

Publication date: 8 November 2011

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1001.2370

zbMATH Keywords

density functional theoryCartesian gridexchange correlation functional

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Molecular physics (81V55) Computational density functional analysis in statistical mechanics (82M36)

Uses Software

• Unnamed Item

Cites Work

• A physically motivated sparse cubature scheme with applications to molecular density-functional theory
• LAPACK Users' Guide

This page was built for publication: Density functional calculation of many-electron systems in Cartesian coordinate grid