Physical review. A, General physics · 1977 · 21 citations · 24 references
Natural SciencesChemistryPhysicsQuantum ChemistryQuantum MechanicsThermodynamicsAb Initio MethodsAtomic Energy LevelsDensity Functional TheoryHartree-fock TheoryMolecular Orbital TheoryGeneralized Hartree-fockHartree-fock ApproximationHartree-fock EnergyHartree-fock Model
Two infinite families of two-parameter generalized Overhauser orbitals are introduced and shown to satisfy explicitly, for occupied states, the self-consistent Hartree-Fock equations in the thermodynamic limit. For an attractive $\ensuremath{\delta}$ interaction, they give lower Hartree-Fock energy than the usual plane-wave solutions, even for relatively weak coupling and/or low density. The limiting members (possessing an infinite number of harmonics) of both families appear to tend to a "classical static lattice" state, via a second-order transition for one family and via first order for the other. The related density profiles and energy expressions are calculated as functions of the two new parameters. A direct variation with respect to these parameters was done numerically and results are presented graphically.
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Handbook of Mathematical Functions
Donald A. McQuarrie · American Journal of Physics · 1966 · 40.9K citations
K. J. Whiteman · Physics Bulletin · 1975 · 7.1K citations
D. ter Haar · Journal of the Franklin Institute · 1966 · 2.3K citations