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Generalized Method for Solving Multi-Center Molecular Integrals of Slater Type Orbitals
並列摘要
By introducing irreducible tensorial operators, the recently developed method of solving multi-center molecular integrals by coupling the two-center exchange integrals with a Fourier transform scheme is further generalized to handle any Slater type orbitals of arbitrarily higher angular momentum states. Numerical procedures can be applied to the final expressions to obtain numerical results.
並列關鍵字
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