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Analytic Energy Gradients and Hessians of Exact Two-Compone..:

Zou, Wenli ; Guo, Guina ; Suo, Bingbing.
Journal of Chemical Theory and Computation.  16 (2020)  3 - p. 1541-1554 , 2020
Link: https://doi.org/10.1021/acs.jctc.9b01120