Trajectory-dependent cellularized frozen Gaussians, a new approach for semiclassical dynamics: Theory and application to He-naphtalene eigenvalues

Sybil M. Anderson; Daniel Neuhauser; Roi Baer

doi:10.1063/1.1568071

Trajectory-dependent cellularized frozen Gaussians, a new approach for semiclassical dynamics: Theory and application to He-naphtalene eigenvalues

Sybil M. Anderson, Daniel Neuhauser^*, Roi Baer

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

A method that changes the averaging parameter of the cellularization over time and dimension for each trajectory is presented. In particular, the derivation of the trajectory-dependent cellularized frozen Gaussian (TDCFG) method is shown. Results comparing the usual HK method with improvements from the TDCFG method are discussed.

Original language	English
Pages (from-to)	9103-9108
Number of pages	6
Journal	Journal of Chemical Physics
Volume	118
Issue number	20
DOIs	https://doi.org/10.1063/1.1568071
State	Published - 22 May 2003

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abstract = "A method that changes the averaging parameter of the cellularization over time and dimension for each trajectory is presented. In particular, the derivation of the trajectory-dependent cellularized frozen Gaussian (TDCFG) method is shown. Results comparing the usual HK method with improvements from the TDCFG method are discussed.",

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AB - A method that changes the averaging parameter of the cellularization over time and dimension for each trajectory is presented. In particular, the derivation of the trajectory-dependent cellularized frozen Gaussian (TDCFG) method is shown. Results comparing the usual HK method with improvements from the TDCFG method are discussed.

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Trajectory-dependent cellularized frozen Gaussians, a new approach for semiclassical dynamics: Theory and application to He-naphtalene eigenvalues

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