Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 118, Issue 19, Pages 8551-8554Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1574318
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Using a newly developed density matrix renormalization group algorithm, we have computed exact solutions of the Schrodinger equation for water at two geometries in a basis of 41 orbitals. Calculations of this size cannot be carried out using any other method. We compare our results with high-order coupled cluster and configuration interaction calculations. (C) 2003 American Institute of Physics.
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