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Path-integral centroid dynamics for general initial conditions: A nonequilibrium projection operator formulation
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10.1063/1.2162887
/content/aip/journal/jcp/124/6/10.1063/1.2162887
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/6/10.1063/1.2162887
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Figures

Image of FIG. 1.
FIG. 1.

Equilibrium position correlation function, Eq. (44), for the potential, Eq. (42). The present method with different values of , 0, 1, and 10, is compared with the exact data, the centroid molecular-dynamics (CMD) approximation, and the linearized quantum dynamics (LQD) approximation. Natural units are chosen such that . The temperature corresponds to .

Image of FIG. 2.
FIG. 2.

Equilibrium position correlation function, Eq. (44), for the potential, Eq. (43). The present method with different values of , 0, 1, 10, is compared with the exact result, the centroid molecular-dynamics (CMD) approximation, and the linearized quantum dynamics (LQD) approximation. Natural units are chosen such that . The temperature corresponds to .

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/content/aip/journal/jcp/124/6/10.1063/1.2162887
2006-02-10
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Path-integral centroid dynamics for general initial conditions: A nonequilibrium projection operator formulation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/6/10.1063/1.2162887
10.1063/1.2162887
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