DBSR\_HF: a B-spline Dirac-Hartree-Fock program

DOI10.1016/J.CPC.2015.12.023MaRDI QIDQ339399zbMATHOpenAlexFDO

Authors Oleg Zatsarinny, Charlotte Froese Fischer

Publication date 10 November 2016

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

Full work available at URL https://doi.org/10.1016/j.cpc.2015.12.023

zbMATH Keywords

B-splinesprojection operatorsgeneralized eigenvalue problembound statesatomic structureBreit interactionrelativistic Dirac theory

Mathematics Subject Classification ID

Numerical computation using splines (65D07) Nuclear physics (81V35) Many-body theory; quantum Hall effect (81V70) Software, source code, etc. for problems pertaining to quantum theory (81-04)

Recommendations

• A B-spline Hartree-Fock program
• Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation
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Cites work

• scientific article; zbMATH DE number 1043685 (Why is no real title available?)
• A B-spline Galerkin method for the Dirac equation
• A B-spline Hartree-Fock program
• BSR: B-spline atomic R-matrix codes
• New version: GRASP2K relativistic atomic structure package
• Polarization Effects in the Positron Theory
• RELCI: A program for relativistic configuration interaction calculations
• The grasp2k relativistic atomic structure package

Cited in

(16)

• An atomic Dirac-Fock-Roothaan program
• A fresh computational approach to atomic structures, processes and cascades
• POLALMM: a program to compute polarizabilities for nominal one-electron systems using the Lagrange-mesh method
• Fisher information for endohedrally confined hydrogen atom
• Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation
• Application of the dual-kinetic-balance sets in the relativistic many-body problem of atomic structure
• HFSZEEMAN -- a program for computing weak and intermediate field fine and hyperfine structure Zeeman splittings from MCDHF wave functions
• Highly accurate numerical solution of Hartree-Fock equation with pseudospectral method for closed-shell atoms
• A B-spline Hartree-Fock program
• BSR: B-spline atomic R-matrix codes
• DBSR_HF
• \texttt{Dftatom}: a robust and general Schrödinger and Dirac solver for atomic structure calculations
• Relativistic density functional theory: the BDF program package
• \texttt{BSHF}: a program to solve the Hartree-Fock equations for arbitrary central potentials using a B-spline basis
• Complex-scaled Hartree-Fock wave functions for the frozen core: a B spline approach
• High-order finite element method for atomic structure calculations

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