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- W2129123595 abstract "We present a pseudospectral formulation of the multireference single and double excitation configuration interaction method. A formal scaling advantage is achieved and practical timings are presented. The accuracy of the pseudospectral approximation within this method is probed for a variety of test cases. The method is typically accurate to within 1 mhartree while being up to six times faster than conventional codes." @default.
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- W2129123595 date "1995-05-15" @default.
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- W2129123595 title "Pseudospectral multireference single and double excitation configuration interaction" @default.
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- W2129123595 doi "https://doi.org/10.1063/1.469088" @default.
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