The grasp2k relativistic atomic structure package

DOI10.1016/j.cpc.2007.06.002zbMath1196.81284OpenAlexW2053732532MaRDI QIDQ710162

D. Kharzeev

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.2007.06.002

zbMATH Keywords

correlationDirac theoryQEDhyperfine structuretransition probabilitiesenergy levelsconfiguration interactionspecific mass shiftatomic structure calculations\texttt{grasp2K}breit interactionisotope shift parametermulticonfiguration Dirac-Hartree-Focknuclear volume effectsrelativistic effects in atomstransverse photon interactions

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

New version: GRASP2K relativistic atomic structure package ⋮ DBSR\_HF: a B-spline Dirac-Hartree-Fock program ⋮ A new approach to relativistic multi-configuration quantum mechanics in titanium ⋮ \texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations ⋮ HFSZEEMAN -- a program for computing weak and intermediate field fine and hyperfine structure Zeeman splittings from MCDHF wave functions ⋮ grasp2k

Uses Software

• GRASP92
• LAPACK
• DVDSON

Cites Work

• Unnamed Item
• Unnamed Item
• The NX message passing interface
• A distributed-memory implementation of the MCHF atomic structure package
• A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix
• GFACTOR2001: A program for relativistic atomic g-factor calculations
• Calculation of reduced coefficients and matrix elements in \(jj\)-coupling
• Maple procedures for the coupling of angular momenta. III. Standard quantities for evaluating many-particle matrix elements
• Program to calculate pure angular momentum coefficients in \(jj\)-coupling