Comparison of classical and quantum phase space structure of nonrigid molecules, LiCN

R. M. Benito; F. Borondo; J. H. Kim; B. G. Sumpter; G. S. Ezra

doi:10.1016/S0009-2614(89)87032-0

Comparison of classical and quantum phase space structure of nonrigid molecules, LiCN

R. M. Benito
, F. Borondo
, J. H. Kim
, B. G. Sumpter
, G. S. Ezra

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

54 Scopus citations

Abstract

We examine the classical and quantum phase space structure of the nonrigid molecule LiCN. The quantum phase space density for many vibrational eigenstates exhibits marked localization in classically chaotic regions of phase space.

Original language	English
Pages (from-to)	60-66
Number of pages	7
Journal	Chemical Physics Letters
Volume	161
Issue number	1
DOIs	https://doi.org/10.1016/S0009-2614(89)87032-0
State	Published - Sep 1 1989
Externally published	Yes

Funding

This work was supported by NSF Grant CHE-8704632. RMB and FB acknowledge the support of the Comunidad Autonoma de Madrid and CICYT, Spain (contracts PB86/540and PB87/112). We are very grateful to Z. Bacic and J. Light for providing a version of their DVR-DGB code, and to J. Tennyson for providing a potential subroutine. Computations reported here were performed in part on the Cornell National Supercomputer Facility, which is supported by the NSF and IBM corporation.

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title = "Comparison of classical and quantum phase space structure of nonrigid molecules, LiCN",

abstract = "We examine the classical and quantum phase space structure of the nonrigid molecule LiCN. The quantum phase space density for many vibrational eigenstates exhibits marked localization in classically chaotic regions of phase space.",

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AU - Ezra, G. S.

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AB - We examine the classical and quantum phase space structure of the nonrigid molecule LiCN. The quantum phase space density for many vibrational eigenstates exhibits marked localization in classically chaotic regions of phase space.

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Comparison of classical and quantum phase space structure of nonrigid molecules, LiCN

Abstract

Funding

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