Abstract
We present an extension of forward-backward quantum dynamics suitable for evaluating finite-temperature time correlation functions for one-dimensional systems at low temperatures. The procedure relies on the cooling action of the Boltzmann operator, which produces a state similar to the lowest energy eigenstate with the given symmetry. As we have shown earlier, the quantum trajectories of near-eigenstates can be integrated by a numerical procedure based on a generalization of Hamilton's principle of stationary action. Evaluation of the trace may be performed in a generic basis set, obviating the need to calculate eigenstates. Numerical applications illustrate the method.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 15-19 |
| Number of pages | 5 |
| Journal | Chemical Physics |
| Volume | 370 |
| Issue number | 1-3 |
| DOIs | |
| State | Published - May 12 2010 |
Keywords
- Correlation functions
- Forward-backward quantum dynamics
- Quantum trajectories
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry
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