TY - JOUR

T1 - QEDMOD

T2 - Fortran program for calculating the model Lamb-shift operator

AU - Shabaev, V. M.

AU - Tupitsyn, I. I.

AU - Yerokhin, V. A.

PY - 2018/2/1

Y1 - 2018/2/1

N2 - 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).

AB - 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).

KW - Energy levels

KW - Lamb shift

KW - QED effects

UR - http://www.scopus.com/inward/record.url?scp=85032975743&partnerID=8YFLogxK

U2 - 10.1016/j.cpc.2017.10.007

DO - 10.1016/j.cpc.2017.10.007

M3 - Article

AN - SCOPUS:85032975743

VL - 223

SP - 69

EP - 69

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

ER -