Publication | Closed Access
Correlation Energy in Atomic Systems. III. Configurations with 3<i>d</i> and 4<i>s</i> Electrons
63
Citations
10
References
1965
Year
Correlation EnergyEngineeringMany-body Quantum PhysicElectron DiffractionStrongly Correlated Electron SystemsComputational ChemistryChemistryElectronic StructureElectron PhysicElectron SpectroscopyQuantum MaterialsQuantum SciencePhysicsAtomic PhysicsQuantum ChemistrySolid-state PhysicLarge Extrashell CorrelationNatural SciencesAtomic SystemsCondensed Matter PhysicsApplied PhysicsPair CorrelationMany-body Problem
The correlation energy for systems containing 3d and 4s electrons has been examined making use of recently obtained Hartree-Fock energies for the elements from K to Zn. In addition to the expected pair correlation between 3d electrons, a large extrashell correlation has been found. These results make it desirable to re-examine the simple correlation model previously put forward. The relativistic correction for the elements in consideration has been discussed.
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