New version: GRASP2K relativistic atomic structure package

DOI10.1016/J.CPC.2013.02.016MaRDI QIDQ313051zbMATH OpenOpenAlexFDO

Authors P. Jönsson, G. Gaigalas, Charlotte Froese Fischer, I. P. Grant, J. Bieroń

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

transition probabilitiesZeeman effectenergy levelshyperfine structureisotope shiftmulti-configurational wavefunctionsquantum electrodynamic correctionsrelativistic atomic structure calculations

Mathematics Subject Classification ID

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

Recommendations

• The grasp2k relativistic atomic structure package
• Some corrections to GRASP92
• Crystal field module for the general relativistic atomic structure package
• RELCI: A program for relativistic configuration interaction calculations
• \texttt{JJGEN}: A flexible program for generating lists of \(jj\)-coupled configuration state functions

Cites work

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

Cited in

(20)

• A fresh computational approach to atomic structures, processes and cascades
• Angular coefficients for symmetry-adapted configuration states in \(jj\)-coupling
• \texttt{JJGEN}: A flexible program for generating lists of \(jj\)-coupled configuration state functions
• GRASP92: a package for large-scale relativistic atomic structure calculations
• The grasp2k relativistic atomic structure package
• POLALMM: a program to compute polarizabilities for nominal one-electron systems using the Lagrange-mesh method
• \textsc{Hfszeeman}95 -- a program for computing weak and intermediate magnetic-field- and hyperfine-induced transition rates
• Ris3: a program for relativistic isotope shift calculations
• Revised and extended utilities for the ratip package
• Crystal field module for the general relativistic atomic structure package
• DBSR\_HF: a B-spline Dirac-Hartree-Fock program
• Calculation of atomic integrals between relativistic functions by means of algebraic methods
• Reducing the computational load -- atomic multiconfiguration calculations based on configuration state function generators
• jj-coupling-based atomic self-consistent-field calculations with relativistic effective core potentials and two-component spinors
• Optical Excitation of Ultra‐Relativistic Partially Stripped Ions
• Some corrections to GRASP92
• GRASP2018 -- a Fortran 95 version of the general relativistic atomic structure package
• AIHFLTF: integrals in Laguerre function bases for electronic structure calculations in atoms
• GFACTOR2001: A program for relativistic atomic g-factor calculations
• Relativistic radial electron density functions and natural orbitals from GRASP2018

Describes a project that uses

Uses Software

• grasp2k
• ATSP2K
• NJGRAF

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