"Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) ..."

Arkajyoti Sengupta, Raghunath O. Ramabhadran, Krishnan Raghavachari (2016)

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DOI: 10.1002/JCC.24050

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type: Journal Article

metadata version: 2020-04-01

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Arkajyoti Sengupta, Raghunath O. Ramabhadran, Krishnan Raghavachari:
Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost. J. Comput. Chem. 37(2): 286-295 (2016)

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