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Journal article

Inelastic neutron scattering from liquid para-hydrogen by ring polymer molecular dynamics

Abstract:: We investigate the use of the ring polymer molecular dynamics (RPMD) method to calculate the incoherent dynamic structure factor of liquid para-hydrogen at a temperature of 14 K. Two different approximation schemes are considered: the RPMD approximation to the self relaxation function F̃s(κ,t) and the Gaussian approximation to the intermediate scattering function F s(κ, t). We find that both approximations give similar results for low momentum transfer, but that their predictions differ appre...
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Publication status:: Published

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APA Style

Craig, I., & Manolopoulos, D. (2006). Inelastic neutron scattering from liquid para-hydrogen by ring polymer molecular dynamics. CHEMICAL PHYSICS, 322(1-2), 236–246.

MLA Style

Craig, I., and D. Manolopoulos. “Inelastic Neutron Scattering from Liquid Para-Hydrogen by Ring Polymer Molecular Dynamics.” CHEMICAL PHYSICS, vol. 322, no. 1-2, 2006, pp. 236–46.

Chicago Style

Craig, I, and D Manolopoulos. 2006. “Inelastic Neutron Scattering from Liquid Para-Hydrogen by Ring Polymer Molecular Dynamics.” CHEMICAL PHYSICS 322 (1-2): 236–46.
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Publisher copy:: 10.1016/j.chemphys.2005.07.012

Authors

+ Craig, I More by this author

Role:

Author

+ Manolopoulos, D More by this author

Institution:

University of Oxford

Division:

MPLS

Department:

Chemistry

Sub department:

Physical & Theoretical Chem

Role:

Author

Bibliographic Details

Journal:: CHEMICAL PHYSICS
Volume:: 322
Issue:: 1-2
Pages:: 236-246
Publication date:: 2006-03-06
DOI:: 10.1016/j.chemphys.2005.07.012
ISSN:: 0301-0104

Item Description

Language:: English
Keywords:: ring polymer molecular

liquid hydrogen

inelastic neutron scattering
Pubs id:: pubs:39870
UUID:: uuid:03454cf0-ba13-4418-8e89-66c704abc05e
Local pid:: pubs:39870
Source identifiers:: 39870
Deposit date:: 2012-12-19

Terms of use

Copyright date:: 2006

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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