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The energy weighted maximum overlap model for the electronic structure of molecules

机译:The energy weighted maximum overlap model for the electronic structure of molecules

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In this paper we discuss the energy weighted maximum overlap model (EWMO) for the electronic structure of molecules. A derivation of the model within the context of density functional theory is presented. This derivation is based on variational operator approximations rather than neglect of integrals. Examples from photoelectron spectroscopy and electron spin resonance are included in order to illustrate the formalism.

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