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Potential harmonic approximation in atomic three‐body systems with Fues–Kratzer‐type potential
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2002
Year
EngineeringComputational ChemistryChemistryElectronic Excited StateElectronic StructurePotential HarmonicsPotential Harmonic ApproximationFk PotentialElectron DensityPhysicsAtomic PhysicsPhysical ChemistryQuantum ChemistryPhglp Expansion MethodAb-initio MethodExcited State PropertyNatural SciencesApplied PhysicsMany-body Problem
Abstract By using the matrix form of the Fues–Kratzer‐type (FK) potential, V ( r ) = Ẑ (Ω)/ r + Â / r 2 , three‐body problems of two‐electron atomic systems are solved with the PHGLP expansion method. The atomic wave functions Ψ(Ω) are constructed in terms of generalized Laguarre polynomials (GLP) and potential harmonics (PH). The calculations of the ground‐state energies of atoms from He to Si 12+ are tabulated using Deng et al.'s procedure and also the effect of the new potential onto excited states of 1 S Li + are illustrated. Then, we calculated excited state energies (n 1 S, n = 1–3) of the atoms from He to Si 12+ with the FK potential. The present results are compared with other theoretical calculations. It is pointed out that convergences of our results are more rapid than the results of the pure Coulombic interaction, and, so, this article increases the efficiency of the calculation for atomic three‐body systems. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
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