The Journal of Chemical Physics · 1989 · 21 citations · 38 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryQuantum ChemistryAb Initio MethodsApproximation MethodsDensity Functional TheoryMolecular Orbital TheoryMolecular SymmetryCoupled Partial Differential EquationsCoupled Schrödinger EquationsCoupled-channel AnalysisCoupled-channel CalculationsHarmonicsQuantum Wave FunctionSecond-order Differential EquationsZero-point Energy
We discuss the bound states of weakly bound van der Waals trimers within the framework of hyperspherical coordinates. The wave function is expanded in terms of hyperspherical harmonics, which form a complete basis set in the angular variables. The resulting set of coupled second-order differential equations in the hyperradius is solved exactly. Our method gives a value for the zero-point energy of H+3 which is in excellent agreement with previous calculations. For (H2)3 and Ne3, however, our results show some discrepancy with earlier work.
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Handbook of Mathematical Functions
Donald A. McQuarrie · American Journal of Physics · 1966 · 40.9K citations
Simplification of the molecular vibration-rotation hamiltonian
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