Electron-Pair Densities with Time-Dependent Quantum Monte Carlo
Author
Source
Journal of Atomic and Molecular Physics
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-5, 5 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-07-28
Country of Publication
Egypt
No. of Pages
5
Main Subjects
Abstract EN
We use sets of de Broglie-Bohm trajectories to describe the quantum correlation effects which take place between the electrons in helium atom due to exchange and Coulomb interactions.
A short-range screening of the Coulomb potential is used to modify the repulsion between the same spin electrons in physical space in order to comply with Pauli's exclusion principle.
By calculating the electron-pair density for orthohelium, we found that the shape of the exchange hole can be controlled uniquely by a simple screening parameter.
For parahelium the interelectronic distance, hence the Coulomb hole, results from the combined action of the Coulomb repulsion and the nonlocal quantum correlations.
In this way, a robust and self-interaction-free approach is presented to find both the ground state and the time evolution of nonrelativistic quantum systems.
American Psychological Association (APA)
Christov, Ivan P.. 2013. Electron-Pair Densities with Time-Dependent Quantum Monte Carlo. Journal of Atomic and Molecular Physics،Vol. 2013, no. 2013, pp.1-5.
https://search.emarefa.net/detail/BIM-471102
Modern Language Association (MLA)
Christov, Ivan P.. Electron-Pair Densities with Time-Dependent Quantum Monte Carlo. Journal of Atomic and Molecular Physics No. 2013 (2013), pp.1-5.
https://search.emarefa.net/detail/BIM-471102
American Medical Association (AMA)
Christov, Ivan P.. Electron-Pair Densities with Time-Dependent Quantum Monte Carlo. Journal of Atomic and Molecular Physics. 2013. Vol. 2013, no. 2013, pp.1-5.
https://search.emarefa.net/detail/BIM-471102
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-471102