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- W1992437986 abstract "The analytic coupled cluster Hessian is used to obtain quartic force fields by finite difference for the isomers of diazene. Use of Hessians as a starting point can yield accurate fields with relatively few calculations. Results with SCF and MP2 are also presented for comparison." @default.
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- W1992437986 date "1993-12-01" @default.
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- W1992437986 title "Quartic coupled cluster force fields for the diazene isomers" @default.
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- W1992437986 doi "https://doi.org/10.1016/0009-2614(93)89358-o" @default.
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