The Journal of Chemical Physics · 1956 · 154 citations · 27 references
Natural SciencesPhysicsAtomic PhysicsQuantum MechanicsTheoretical PhysicsAb Initio MethodsElectron ConfigurationsElectron CorrelationHartree-fock TheoryStrongly Correlated Electron SystemsBonding OrbitalsCorrelationElectron Correlation EffectsElectron Correlation EnergyElectronic CorrelationsGround State PropertiesIon CorrelationsStrongly Correlated Electrons
The correlation effects in the ground state of the He-like ions are investigated by using the idea that the two electrons may occupy different orbitals in space. By using a scale factor η and a splitting parameter v, a radial function [open phi][r] is split into two different orbitals, [open phi][η(1+v)r] and [open phi][η(1—v)r], following Hylleraas [E. A. Hylleraas, Z. Physik 54, 347 (1929)], and Eckart [C. Eckart, Phys. Rev. 36, 878 (1930)]. It is shown that by using orbitals obtained by splitting a simple exponential function, a surprisingly large amount of the radial correlation energy may be taken into account, whereas an attempt to split the atomic self-consistent field function for He led to a negative result. The lowest triplet state is also treated by using the same approach.
27
A Simplification of the Hartree-Fock Method
J. C. Slater · Physical Review · 1951 · 4.5K citations
On the Interaction of Electrons in Metals
E. P. Wigner · Physical Review · 1934 · 2.9K citations
David Pines, David Böhm · Physical Review · 1952 · 1.4K citations