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>Electron correlation in molecular manyhyphen;electron systems by diagrammatic manyhyphen;body perturbation theory: Correlation energies and dipole polarizabilities of the hydrogen molecule
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Electron correlation in molecular manyhyphen;electron systems by diagrammatic manyhyphen;body perturbation theory: Correlation energies and dipole polarizabilities of the hydrogen molecule
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机译：Electron correlation in molecular manyhyphen;electron systems by diagrammatic manyhyphen;body perturbation theory: Correlation energies and dipole polarizabilities of the hydrogen molecule
Diagrammatic manyhyphen;body perturbation theory is used to calculate the electronic energy and the static electric dipole polarizability of the hydrogen molecule in its ground state. An amply extended discrete basis set of Gaussian orbitals is employed to minimize basis set errors and singlehyphen;electron states are generated by the Hartreendash;Fock VNpotential. The correlation energy is evaluated through third order and with some higherhyphen;order corrections included by denominator shifts to recover about 95percnt; of the total correlation energy. Dipole polarizabilities are calculated through second order in electron correlation with an accuracy of sim;2percnt;. Also the energyhyphen;denominator decoupling theorem is explicitly proved by invoking combinatorial analysis to implement extensive denominator shifts. Considering the values obtained, some comments are given on the application of partial summation techniques to molecular problems.
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