Frozen-core SCF/DZP and CI-SD/DZP calculations on H2O at its equilibrium geometry gave energies of -76.040542 and -76.243772

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Frozen-core SCF/DZP and CI-SD/DZP calculations on H2O at its equilibrium geometry gave energies of -76.040542 and -76.243772 hartrees. Application of the Davidson correction brought the energy to -76.254549 hartrees. Find the coefficient of Ф0 in the normalized CI-SD wave function.
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Quantum Chemistry

ISBN: 978-0321803450

7th edition

Authors: Ira N. Levine

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