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Application of the manyhyphen;body Green's function formalism to the lithium atom

机译:Application of the manyhyphen;body Green's function formalism to the lithium atom

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The techniques of manyhyphen;body Green's function theory have been applied to the calculation of properties of the lithium atom. Using basis set expansion techniques and a secondhyphen;order expansion of the selfhyphen;energy, Dyson's equation was solved, and the firsthyphen;order reduced density matrix and the first ionization potential for the lithium ground state were computed. The natural spin orbitals ofssymmetry were in excellent argeement with those computed from wavefunctions. The ionization potential was within 0.01 eV of the exact experimental result.

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