Lower bounds on the electronic charge and momentum densities of atomic systems at the origin
- 1 April 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 37 (8) , 3154-3157
- https://doi.org/10.1103/physreva.37.3154
Abstract
Rigorous lower bounds to the electronic charge and momentum densities of an atomic system at the origin, ρ(0) and γ(0), respectively, by the expectation values 〈〉 and 〈〉, respectively, are given for positive and negative values of α in both cases, provided that the charge and momentum densities have a monotone decrement behavior, respectively. They allow one to give rigorous bounds to ρ(0) and γ(0) in terms of experimentally measurable atomic quantities such as the diamagnetic susceptibility, the Compton profile peak, and the electronic energy. In particular it is shown that ρ(0)≥(4 √3 πN〈 with the charge density normalized to N, the number of electrons of the system. The quality and the asymptotic Z behavior of the bounds for neutral atoms (N=Z) are studied.
This publication has 26 references indexed in Scilit:
- Interconnections between atomic-electron density and electron-momentum density: Leading and tail correctionsPhysical Review A, 1986
- Relationships among the terms in the expansions of the kinetic- and exchange-correlation-energy density functionalsPhysical Review A, 1985
- Use of energy constraint for refinement of electron momentum distributionsThe Journal of Chemical Physics, 1984
- Density Functional TheoryAnnual Review of Physical Chemistry, 1983
- Local-density-functional model for atoms in momentum spacePhysical Review A, 1982
- Rigorous and approximate relations between expectation values of atomsThe Journal of Chemical Physics, 1980
- Simple bounds to the atomic one-electron density at the nucleus and to expectation values of one-electron operatorsJournal of Physics B: Atomic and Molecular Physics, 1978
- Parity nonconservation in Tl and Bi atomsPhysical Review A, 1976
- Weak neutral currents in atomic physicsPhysics Letters B, 1974
- Application and Interpretation of Isomer ShiftsReviews of Modern Physics, 1964