New version: GRASP2K relativistic atomic structure package

DOI10.1016/J.CPC.2013.02.016zbMath1344.81171OpenAlexW2106818190MaRDI QIDQ313051

Charlotte Froese Fischer, James Bieron, Per R. Jonsson, Gediminas Gaigalas, Ian P. Grant

Publication date: 9 September 2016

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

Full work available at URL: http://hdl.handle.net/2043/16226

zbMATH Keywords

hyperfine structuretransition probabilitiesenergy levelsZeeman effectisotope shiftmulti-configurational wavefunctionsquantum electrodynamic correctionsrelativistic atomic structure calculations

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Packaged methods for numerical algorithms (65Y15)

Related Items (13)

Ris3: a program for relativistic isotope shift calculations ⋮ DBSR\_HF: a B-spline Dirac-Hartree-Fock program ⋮ POLALMM: a program to compute polarizabilities for nominal one-electron systems using the Lagrange-mesh method ⋮ GRASP2018 -- a Fortran 95 version of the general relativistic atomic structure package ⋮ Calculation of atomic integrals between relativistic functions by means of algebraic methods ⋮ \textsc{Hfszeeman}95 -- a program for computing weak and intermediate magnetic-field- and hyperfine-induced transition rates ⋮ Optical Excitation of Ultra‐Relativistic Partially Stripped Ions ⋮ Angular coefficients for symmetry-adapted configuration states in \(jj\)-coupling ⋮ AIHFLTF: integrals in Laguerre function bases for electronic structure calculations in atoms ⋮ Reducing the computational load -- atomic multiconfiguration calculations based on configuration state function generators ⋮ A fresh computational approach to atomic structures, processes and cascades ⋮ Relativistic radial electron density functions and natural orbitals from GRASP2018 ⋮ jj-coupling-based atomic self-consistent-field calculations with relativistic effective core potentials and two-component spinors

Uses Software

• grasp2k
• ATSP2K
• NJGRAF

Cites Work

• The grasp2k relativistic atomic structure package
• Program to calculate pure angular momentum coefficients in \(jj\)-coupling

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