QEDMOD: Fortran program for calculating the model Lamb-shift operator

V. M. Shabaev, I. I. Tupitsyn, V. A. Yerokhin

Research output

15 Citations (Scopus)

Abstract

We present Fortran package QEDMOD for computing the model QED operator hQED that can be used to account for the Lamb shift in accurate atomic-structure calculations. The package routines calculate the matrix elements of hQED with the user-specified one-electron wave functions. The operator can be used to calculate Lamb shift in many-electron atomic systems with a typical accuracy of few percent, either by evaluating the matrix element of hQED with the many-electron wave function, or by adding hQED to the Dirac–Coulomb–Breit Hamiltonian. New version program summary Program Title: QEDMOD Program Files doi: http://dx.doi.org/10.17632/ct869v4gxn.1 Licensing provisions: Apache License 2.0. Programming language: Fortran 77. Journal reference of previous version: Computer Physics Communications 189 (2015) 175-181, http://dx.doi.org/10.1016/j.cpc.2014.12.002. Does the new version supersede the previous version?: Yes. Nature of problem: Fortran code for computation of the model QED operator that approximates the Lamb shift in many-electron atoms. Solution method: The method of solution is based on the algorithm developed in Ref. [1]. Reasons for the new version: Extension of the region of applicability; fixing of minor bugs. Summary of revisions: Region of supported nuclear charges is extended to Z∈[3,120]; a problem that appeared for the extended nuclear model for several selected values of Z is fixed. [1] V. M. Shabaev, I. I. Tupitsyn, and V. A. Yerokhin, Model operator approach to the Lamb shift calculations in relativistic many-electron atoms, Phys. Rev. A 88, 012513 (2013).

Original languageEnglish
Pages (from-to)69-69
Number of pages1
JournalComputer Physics Communications
Volume223
DOIs
Publication statusPublished - 1 Feb 2018

Scopus subject areas

  • Hardware and Architecture
  • Physics and Astronomy(all)

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