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Collision-induced alignment of H2O+ drifting in helium

TitleCollision-induced alignment of H2O+ drifting in helium
Publication TypeJournal Article
Year of Publication2006
AuthorsChen, X, Thachuk, M
JournalJournal of Chemical Physics
Volume124
Pagination8
Date PublishedMay
Type of ArticleArticle
ISBN Number0021-9606
KeywordsCROSS-SECTIONS, CYTOCHROME-C, ELECTROSTATIC FIELDS, IN-VACUO, INTRINSIC SIZE PARAMETERS, ION-MOTION, MOLECULAR-DYNAMICS, MONTE-CARLO-SIMULATION, POTENTIAL-ENERGY SURFACES, ROTATIONAL ALIGNMENT
Abstract

The collision-induced alignment of H2O+ drifting in helium is studied with a molecular dynamics method that has been extended to treat nonlinear rigid ions. Rotational distribution functions and averaged quantities are presented in terms of the rho formalism [M. Thachuk, Phys. Rev. A 72, 032722 (2005)], and it is shown that this description gives a very good agreement with simulation results. In addition to velocity and angular velocity autocorrelation functions, a velocity-angular velocity cross correlation function is introduced. This cross correlation function provides insight into the dynamical nature of the alignment mechanism. 2006 American Institute of Physics.
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