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Relativistic Hartree-Fock-Slater Calculations for Arbitrary Temperature and Matter Density
371
Citations
12
References
1972
Year
EngineeringComputational ChemistryElectronic StructureElectron SpectroscopyQuantum SciencePhysicsElectronic LevelsAtomic PhysicsNon-perturbative QcdMatter DensitiesQuantum ChemistryArbitrary TemperatureFermi StatisticsAb-initio MethodNatural SciencesParticle PhysicsApplied PhysicsCondensed Matter PhysicsMany-body Problem
An algorithm is presented to calculate electronic levels and the equation of state of atoms suitable for arbitrary matter density and temperature. The self-consistent-field treatment starts with relativistic Thomas-Fermi-Dirac model in the iterative procedure. The Fermi statistics and the central-field approximation are maintained, giving an average atom representation. The broadening of upper electronic levels into bands is taken into account in a simple approximation. Calculations are presented for the ${\mathrm{Fe}}^{26}$ and ${\mathrm{Rb}}^{37}$ atoms at several temperatures and matter densities.
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