A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules

Miller, William H; Hase, William L; Darling, Cynthia L

doi:10.1063/1.456956

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A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules

Author(s): William H. Miller , William L. Hase , Cynthia L. Darling

Publication date Created: September 1989

Publication date (Print): September 1989

Journal: The Journal of Chemical Physics

Publisher: AIP Publishing

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Reaction path Hamiltonian for polyatomic molecules

William H Miller, Nicholas Handy, John E. Adams (1980)

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A method to constrain vibrational energy in quasiclassical trajectory calculations

Joel M Bowman, Bela Gazdy, Qiyan Sun (1989)

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Nonlinear resonances and vibrational energy flow in model hydrocarbon chains

John S. Hutchinson, James Hynes, William P. Reinhardt (1983)

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Journal

Title: The Journal of Chemical Physics

Abbreviated Title: The Journal of Chemical Physics

Publisher: AIP Publishing

ISSN (Print): 0021-9606

ISSN (Electronic): 1089-7690

Publication date Created: September 1989

Publication date (Print): September 1989

Volume: 91

Issue: 5

Pages: 2863-2868

Article

DOI: 10.1063/1.456956

SO-VID: 696105c7-ec8d-49ad-85d0-f26ba24d3c85

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A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules

Read this article at

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SDG 2: Zero Hunger

Most cited references 10

Reaction path Hamiltonian for polyatomic molecules

A method to constrain vibrational energy in quasiclassical trajectory calculations

Nonlinear resonances and vibrational energy flow in model hydrocarbon chains

Author and article information

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Article

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