Comparison of densities obtained with competing density functional molecular codes

DOI10.1016/J.CAM.2021.113649zbMath1503.82003OpenAlexW3160124537MaRDI QIDQ2033087

Yanyan Li

Publication date: 14 June 2021

Published in: Journal of Computational and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cam.2021.113649

zbMATH Keywords

density functional approach

Mathematics Subject Classification ID

Computational density functional analysis in statistical mechanics (82M36)

Uses Software

• NWChem
• Julia

Cites Work

• \texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
• Julia: A Fresh Approach to Numerical Computing

This page was built for publication: Comparison of densities obtained with competing density functional molecular codes