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Optimization of parameters for an effective hamiltonian |
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| Authors: | William C Herndon M Lawrence Ellzey Jr |
| Institution: | Department of Chemistry, University of Texas at El Paso, El Paso, Texas 79968, USA |
| Abstract: | A generally applicable, least-squares method that can be used to optimize the parameters of an effective hamiltonian matrix in any basis set is described. The technique is applied to the correlation of photoelectron spectra of saturated hydrocarbons. |
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