Smearing Formulas for Density Matrices
Michael Bachmann, Hagen Kleinert, and Axel Pelster
TL;DR
This paper introduces a systematic variational perturbation theory for density matrices using new smearing formulas, with an application to the radial distribution function of an electron in hydrogen.
Contribution
It develops a novel variational perturbation approach for density matrices based on smearing formulas, advancing computational methods in quantum statistical mechanics.
Findings
Lowest-order approximation for hydrogen atom's electron distribution obtained
New smearing formulas for harmonic correlation functions introduced
Method shows promise for improved density matrix calculations
Abstract
We report on the development of a systematic variational perturbation theory for the euclidean path integral representation of the density matrix based on new smearing formulas for harmonic correlation functions. As a first application, we present the lowest-order approximation for the radial distribution function of an electron in a hydrogen atom.
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Taxonomy
TopicsAdvanced Chemical Physics Studies · Scientific Research and Discoveries