FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions

DOI10.1016/J.CPC.2005.05.002MaRDI QIDQ709815zbMATH OpenOpenAlexFDO

Authors R. Cimiraglia, Celestino Angeli

Publication date 18 October 2010

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

Full work available at URL https://doi.org/10.1016/j.cpc.2005.05.002

zbMATH Keywords

CAS-SCF wavefunctionsinternally contracted functionsmatrix elementssymbolic algebra

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30) Computational methods for problems pertaining to quantum theory (81-08)

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Cited in

(3)

• FRODO
• The \texttt{FermiFab} toolbox for fermionic many-particle quantum systems
• Gmat. A software tool for the computation of the rovibrational \(G\) matrix

Describes a project that uses

Uses Software

• MuPAD

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