Dipole moment derivatives of H2O and H2S |
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Authors: | RD Amos |
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Institution: | University of Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, UK |
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Abstract: | The dipole and quadrupole derivatives of H2O and H2S are calculated analytically, using the coupled Hartree—Fock method first proposed by Gerratt and Mills. The greater efficiency, of this method allows SCF wave functions very, close to the Hartree—Fock limit to be used. Agreement, with experimental data is good. |
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