On the Inference of the One-Particle Density Matrix from Position and Momentum-Space Form Factors-Reference-Cited by-同舟云学术

On the Inference of the One-Particle Density Matrix from Position and Momentum-Space Form Factors

Published:1993-02-01 Issue:1-2 Volume:48 Page:211-220
ISSN:1865-7109
Container-title:Zeitschrift für Naturforschung A
language:en
Short-container-title:

Author:

Schmider Hartmut¹,Smith, Jr. Vedene H.¹,Weyrich Wolf²

Affiliation:

1. Department of Chemistry, Queen's University, Kingston K7L 3N6, Ontario, Canada

2. Fakultät für Chemie, Universität Konstanz, D-W-7750 Konstanz, Fed. Rep. of Germany

Abstract

Abstract A modification of a recently developed method for the least-squares reconstruction of a one-particle reduced density matrix from experimentally accessible expectation values is applied to the test systems of atomic beryllium and neon. The improvement of the resulting matrices through inclusion of electron correlation is demonstrated. Their quality is judged by comparison of the moments of the position and momentum densities and of the spherically averaged density matrix in a suitable representation.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

Link

https://www.degruyter.com/document/doi/10.1515/zna-1993-1-241/pdf

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