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Elsevier eBooks

Hartree equations derived from a variational principle

Norman Henry March

Published Jan 1, 1975• 1 citation
Publisher
DOI
10.1016/b978-0-08-017819-6.50017-4

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A quantum mechanical time-dependent variational principle is generalized using the classical theory of fluids to obtain a variational principle suitable for the fluid dynamical description of mixed state quantum mechanics. A newly derived set of moment equations, in both standard and renormalized form, can be derived with the aid of this principle through minimization of the error in expressing the total derivative of the Wigner function. Coupled systems are studied in the time-dependent Hartree (TDH) approximation using a novel variational principle, and the renormalization procedure used earlier in the examination of single particle dynamics is extended to the TDH analysis. Use of a local Maxwellian ansatz for each particle results in a particularly simple ‘‘two-fluid’’ theory, the TDH/LM approximation, which does not violate the standard and renormalized energy conservation theorems derived earlier for the single particle equations. The fluid dynamical TDH/LM approximation is shown to possess a simple semiclassical interpretation.
The time-dependent Hartree-Fock equations are derived from a variational principle for the general N-body action of a Slater determinant of single-electron orbitals. The variational principle generalizes commonly used variational treatments based on reduced two-body actions. The self-consistent field equations are found to contain time-dependent corrections to the standard mean-field interactions. Their physical significance is discussed and a time-dependent phase shift to the Slater determinant is obtained that properly accounts for the total interaction energy in the mean-field approach.