Electron number distribution functions from molecular wavefunctions. Version 2

DOI10.1016/J.CPC.2014.05.009zbMath1360.81017OpenAlexW2081814733WikidataQ62043339 ScholiaQ62043339MaRDI QIDQ525857

A. Martín Pendás, Ezequiel P. Francisco

Publication date: 5 May 2017

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2014.05.009

zbMATH Keywords

chemical bonding theoryelectron probability distributionmolecular wave functionquantum theory of atoms in molecules

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Many-body theory; quantum Hall effect (81V70) Software, source code, etc. for problems pertaining to quantum theory (81-04)

Uses Software

• edf

Cites Work

• Localized Atomic and Molecular Orbitals
• Unnamed Item

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