GRASP2018 -- a Fortran 95 version of the general relativistic atomic structure package

DOI10.1016/J.CPC.2018.10.032MaRDI QIDQ6042310zbMATH OpenOpenAlexWikidataFDO

Authors

Publication date 10 May 2023

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

Full work available at URL https://doi.org/10.1016/j.cpc.2018.10.032

zbMATH Keywords

atomic structure calculationsconfiguration interactioncorrelationenergy levelsisotope shiftmulticonfiguration Dirac-Hartree-Fockrelativistic effects in atomstransition probabilities

Mathematics Subject Classification ID

Quantum theory (81-XX) Astronomy and astrophysics (85-XX)

Cites work

• A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix
• scientific article; zbMATH DE number 1043685 (Why is no real title available?)
• New version: GRASP2K relativistic atomic structure package
• Program to calculate pure angular momentum coefficients in jj-coupling

Cited in

(6)

• GFACTOR2001: A program for relativistic atomic g-factor calculations
• Relativistic radial electron density functions and natural orbitals from GRASP2018
• PROPHET4R: Four-component relativistic atomic and molecular program suite
• POLALMM: a program to compute polarizabilities for nominal one-electron systems using the Lagrange-mesh method
• Crystal field module for the general relativistic atomic structure package
• GRASP92: a package for large-scale relativistic atomic structure calculations

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