Baeurle, Stephan Alexander (2003) On a new formulation of the real-time propagator. JOURNAL OF MATHEMATICAL CHEMISTRY, 34 (1-2). pp. 29-38. ISSN 0259-9791, 1572-8897
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The development of theoretical tools for the study of dynamical phenomena of many-particle systems on the quantum level is a fundamental challenge since many decades. A lot of efforts have been invested on Feynman's path integral approach, however, no computationally tractable method for investigating realistic systems could be developed up to now. In this paper we propose an alternative representation of the real-time many-body evolution operator formulated within the framework of the auxiliary field formalism. Our goal is to derive a new auxiliary field functional integral representation, in which the large oscillations of the functional integrand are reduced, in order to render the auxiliary field approach more attractive for real-time computation. This objective is attained using a generalized version of the method of Gaussian equivalent representation of Efimov and Ganbold [Phys. Stat. Sol. 168 (1991) 165], which eliminates the low-order fluctuations of the auxiliary field from the interaction functional.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | FIELD MONTE-CARLO; SEMICLASSICAL SCATTERING THEORY; ELECTRONIC-STRUCTURE; SIGN PROBLEM; APPROXIMATION; REPRESENTATION; SIMULATIONS; POLARON; PHYSICS; real-time propagator; auxiliary functional integral formalism; quantum dynamics |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > PD Dr. Stephan Baeurle |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 10 Aug 2021 14:00 |
| Last Modified: | 10 Aug 2021 14:00 |
| URI: | https://pred.uni-regensburg.de/id/eprint/38867 |
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