The Journal of Chemical Physics · 1957 · 60 citations · 10 references
Natural SciencesChemistryPhysicsComputational ChemistryMolecular PhysicsPhysical ChemistryAb Initio MethodsIntermolecular ForcesMolecular InteractionsMolecular MechanicsDipole ApproximationDispersion CorrectionsHigher-order Interaction TermsLondon Dispersion ForcesMolecular CrystalsMolecular PolarizabilityVan Der Waals ForcesVan Der Waals Interactions
The London-van der Waals cohesive energy of a linear lattice is calculated in the dipole-dipole approximation, including all orders of perturbation. This result is obtained by applying the Born-von Kármán method to the electronic motions, using a model which represents each molecule as an isotropic harmonic dipole-oscillator. The dispersion interaction energy of the lattice is expanded in powers of the parameter α/a3 (where α is the molecular polarizability and a the nearest neighbor distance), and is computed up to the eighth order. For values of α/a3 appropriate to actual molecular crystals, the main contribution to the energy comes from the second order. Among the higher order terms, the third order is always important, but for α/a3≥0.06, contributes less than one-half of the total correction to the second-order energy.
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<i>Molecular Theory of Gases and Liquids</i>
Joseph O. Hirschfelder, C. F. Curtiss, R. Byron Bird · Physics Today · 1955 · 11.4K citations
Natural Sciences, Chemistry, Physics +14
Triple-Dipole Interaction. I. Theory
B. M. Axilrod · The Journal of Chemical Physics · 1951 · 200 citations · Full text
Drude-Model Calculation of Dispersion Forces. I. General Theory
W. L. Bade · The Journal of Chemical Physics · 1957 · 185 citations
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