Variational Principles for Expectations
- 25 February 1968
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 166 (5), 1255-1262
- https://doi.org/10.1103/physrev.166.1255
Abstract
Variational principles for expectation values of physical quantites other than the energy are derived. The expressions implicitly require Green's-function estimations, and higher-order corrections are available. One principle involves a subsidiary minimization, and the other involves the difference between two quantities which are minimum at the stationary point; consequently, numerical computations can be made with both of these principles. As a simple example, the mean-square radius of the hydrogen atom for an incorrect wave function is corrected, with excellent results. Application is also made to the meansquare radius of a model triton.Keywords
This publication has 17 references indexed in Scilit:
- Polarized wave functions for a few-body model nucleusNuclear Physics A, 1967
- Polarized Crystal Spectra of Optically Active Ions. I. trans-[Co(1-pn)2Cl2]+ and trans-[Coen2Cl2]+The Journal of Chemical Physics, 1967
- Constrained-Variation Method in Molecular Quantum Mechanics. Comparison of Different ApproachesThe Journal of Chemical Physics, 1966
- Constrained-Variation Method in Molecular Quantum Mechanics. Application to Lithium HydrideThe Journal of Chemical Physics, 1965
- An expansion method for calculating atomic properties IV. Transition probabilitiesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1964
- Least-Squares Local-Energy Method for Molecular Energy Calculations Using Gauss Quadrature PointsThe Journal of Chemical Physics, 1961
- Die Bedeutung des Energievergleiches für die Güte einer NäherungslösungZeitschrift für Naturforschung A, 1961
- Quantum Theory of Electronic Structure of MoleculesAnnual Review of Physical Chemistry, 1960
- A Variation Principle for EigenfunctionsPhysical Review B, 1954
- The Theory and Calculation of Screening ConstantsPhysical Review B, 1930