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Benchmark ECCSD calculations

THE BENCHMARK ECCSD CALCULATIONS FOR THE S4 MODEL SYSTEM AND NITROGEN MOLECULE... [Pg.175]

In this section, we discuss the results of the benchmark ECCSD calculations for the STO-3G [146] model of N2, used by Head-Gordon et al in their QCCD calculations [71,89], and the minimum basis set (MBS) S4 model introduced in Refs. [143-145]. As in our earlier work [78], all ECCSD, LECCSD, BECCSD, and QECCSD calculations reported here were performed using the pilot computer codes, in which the relevant cluster amplitudes, and determined by minimizing the... [Pg.175]


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Benchmark calculations

Benchmarked

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