On the choice of coordinate origin in length gauge optical rotation calculations.
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DOI: 10.1002/chir.23575
Abstract: In this work, we explore the issue of origin dependence in optical rotation (OR) calculations in the length dipole gauge (LG) using standard approximate methods belonging to density functional theory (DFT) and coupled cluster (CC)… read more here.
Keywords: choice coordinate; coordinate origin; origin; coordinate ... See more keywords