The Journal of Chemical Physics · 1941 · 58 citations · 15 references
Natural SciencesChemistryPhysicsMolecular PhysicsPhysical ChemistryQuantum ChemistryAb Initio MethodsDensity Functional TheoryIntermolecular ForcesIntermolecular InteractionsMolecular InteractionsMolecular Quantum MechanicsAttractive Force ModelsLennard-jones PotentialMolecular Potential ModelsNonbonded InteractionsVan Der Waals ForcesVan Der Waals InteractionsVibrational Wave FunctionsWave Number
Using a potential function of the form V(R)=A(ρ)e−R/ρ−c1R6−c2R8−c3R10−c4R12,the vibrational wave number and energy of dissociation of the molecules HgHe, HgNe, HgA, HgKr, HgXe, Hg2, (O2)2 and (NO)2 in the normal state are calculated. It is found that, if the single value ρ=0.28A is chosen, satisfactory agreement is obtained with experimental data except in the case of (NO)2. The latter structure is believed to owe its binding partly to first-order attractive forces.
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The general theory of molecular forces
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