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- W60638215 abstract "We use the method of natural orbitals or natural expansion to analyse electronic wavefunctions.Tests of the electronic wavefunctions of excited states show that the double occupation scheme and the symmetry constraint may result in ambiguous results for natural orbitals." @default.
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- W60638215 date "1988-12-01" @default.
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- W60638215 title "Delocalized Natural Orbitals in Atomic and Molecular Systems" @default.
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