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Physical Sciences and Mathematics Commons™

Open Access. Powered by Scholars. Published by Universities.®

Physics

University of Tennessee, Knoxville

Series

2005

Articles 1 - 3 of 3

Full-Text Articles in Physical Sciences and Mathematics

Cross Sections Fall 2005, Department Of Physics And Astronomy Oct 2005

Cross Sections Fall 2005, Department Of Physics And Astronomy

Cross Sections

No abstract provided.

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Cross Sections Spring 2005, Department Of Physics And Astronomy Apr 2005

Cross Sections Spring 2005, Department Of Physics And Astronomy

Cross Sections

No abstract provided.

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Vibrational Dependence Of The H2–H2 C6 Coefficients, Robert Hinde Jan 2005

Vibrational Dependence Of The H2–H2 C6 Coefficients, Robert Hinde

Chemistry Publications and Other Works

We use the sum-over-states formalism to compute the imaginary-frequency dipole polarizabilities for H2, as a function of the H–H bond length, at the full configuration interaction level of theory using atom-centered d-aug-cc-pVQZ basis sets. From these polarizabilities, we obtain isotropic and anisotropic C6 dispersion coefficients for a pair of H2 molecules as functions of the two molecules’ bond lengths.

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