ANALYSIS OF THE STATISTICAL DENSITY MATRIX

Journal Article · Wed Nov 01 04:00:00 EST 1961 · Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D

DOI:https://doi.org/10.1103/PhysRev.124.785· OSTI ID:4830868

King, K M; Thomas, L H

A generalized expression for the statistical field is obtained, which includes the Thomas-Fermi (TF) and ThomasFermi-Dirac (TFD) fields as special cases. The behavior of the energy, charge density, boundary density, and electron groups is investigated for various fields. Fields with exchange are obtained that behave like the TF field at the boundary. A singularity in the TFD density matrix is found, which leads to an oscillation in the sign of the charge in high angular momentum states. This singularity is related to the necessity for ternminating the TFD distribution at a finite boundary. Comparison of the Fourier components and wave functions calculated from statistical density matrices for Cu/sup +/ with the corresponding Hartree-Fock values reveals that it is not useful to use the statistical density matrix as a starting point for a Hartree-Fock calculation. (auth)

• Research Organization: Columbia Univ., New York
• NSA Number: NSA-16-003806
• OSTI ID: 4830868
• Journal Information: Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D, Journal Name: Physical Review (U.S.) Superseded in part by Phys. Rev. A, Phys. Rev. B: Solid State, Phys. Rev. C, and Phys. Rev. D Vol. Vol: 124; ISSN PHRVA
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

ANGULAR MOMENTUM
ATOMIC MODELS
COPPER
DENSITY
ELECTRONS
ENERGY
ENERGY LEVELS
FOURIER ANALYSIS
HARTREE-FOCK METHOD
IONS
MATHEMATICS
MATRICES
MOMENTUM
OSCILLATIONS
PHYSICS
QUANTUM MECHANICS
STATISTICS
THOMAS-FERMI MODEL