Multiconfiguration electron density function for the \texttt{ATSP}2K-package

DOI10.1016/J.CPC.2009.10.014zbMath1205.82011arXiv0907.2830OpenAlexW2010900834MaRDI QIDQ615073

O. Scharf, A. Borgoo, Gediminas Gaigalas, Michel Godefroid

Publication date: 5 January 2011

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

Full work available at URL: https://arxiv.org/abs/0907.2830

zbMATH Keywords

density matrixelectron densitynatural orbitals\texttt{ATSP}2K software toolmulticonfiguration wave functions

Mathematics Subject Classification ID

Schrödinger operator, Schrödinger equation (35J10) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (2)

Ris3: a program for relativistic isotope shift calculations ⋮ Relativistic radial electron density functions and natural orbitals from GRASP2018

Uses Software

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Cites Work

• LAPACK Users' Guide
• Program to calculate pure angular momentum coefficients in \(jj\)-coupling
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