Numerical Procedures for Relativistic Atomic Structure Calculations

Numerical Procedures for Relativistic Atomic Structure Calculations

Variational methods are used extensively in the calculation of transition rates for numerous lines in a spectrum. In the GRASP code, solutions of the multiconfiguration Dirac–Hartree–Fock (MCDHF) equations that optimize the orbitals are represented by numerical values on a grid using finite differen...

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Bibliographic Details
Main Authors: Charlotte Froese Fischer, Andrew Senchuk
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Atoms
Subjects:
dirac equation
finite differences
heavy elements
numerical integration
MCDHF equations
Online Access:https://www.mdpi.com/2218-2004/8/4/85

Internet

https://www.mdpi.com/2218-2004/8/4/85

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