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Biochemistry

Brigham Young University

Faculty Publications

Van der Waals

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Full-Text Articles in Physical Sciences and Mathematics

Van Der Waals Interactions Of Carbon Monoxide, Gregory A. Parker, Russell T. Pack Mar 1976

Van Der Waals Interactions Of Carbon Monoxide, Gregory A. Parker, Russell T. Pack

Faculty Publications

Pade approximant methods and experimental frequency dependent polarizabilities are used to calculate reliable van der Waals C6 coefficients for the interaction of CO with He, Ne, Ar, Kr, Xe, H, Li, Na, K, Rb, Cs, H2, N2, O2, CO2, and CO. Error bounds are given for the C6 coefficients and for the CO oscillator strength sums.

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Van Der Waals Interactions Of Ii-State Linear Molecules With Atoms. C6 For No(X 2Π) Interactions, Glen C. Nielson, Gregory A. Parker, Russell T. Pack Mar 1976

Van Der Waals Interactions Of Ii-State Linear Molecules With Atoms. C6 For No(X 2Π) Interactions, Glen C. Nielson, Gregory A. Parker, Russell T. Pack

Faculty Publications

Formulas are derived for the van der Waals Cn coefficients for the interaction of a diatomic molecule in a II electronic state with an S-state atom. Two triatomic states arise from the degenerate IIstate. The average of the two energies has the usual Legendre polynomial (PL) angular dependence, but the difference in energies of the two states is shown to have associated Legendre polynomial (PML with M=2) angular dependence. Procedures for including spin orbit coupling are included, and the extension to interactions of Delta- and Phi-state molecules is discussed. Values of the spherical part of the C6 coefficients for the …

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