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- W2034077118 abstract "A study of several approximate singlet solutions of the S‐function Schrödinger equation has revealed that all msns 1S (n ≥ m) S‐type wavefunctions for given m have m positive natural occupation amplitudes. These positive amplitudes are associated with the m lowest‐energy natural orbitals. The rest of the amplitudes are negative. It is hypothesized that the natural orbitals are only slightly altered as more configurations are added to a wavefunction. This hypothesis is used to justify the application of the many‐configuration self‐consistent field formalism to explain the observed behavior of the natural occupation amplitudes." @default.
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- W2034077118 date "1968-04-15" @default.
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- W2034077118 title "Natural Occupation Amplitudes of Helium‐Atom S‐Type Wavefunctions" @default.
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- W2034077118 doi "https://doi.org/10.1063/1.1669644" @default.
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