Chapter 14 Relativistic effective core potentials

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Abstract

The relativistic effective core potential method is reviewed. The basic assumptions of the model potential and pseudopotential variants are discussed and the reliability of both approaches in electronic structure calculations for heavy element systems is demonstrated for selected examples. © 2002, Elsevier Inc. All rights reserved.

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Dolg, M. (2002). Chapter 14 Relativistic effective core potentials. In Theoretical and Computational Chemistry (Vol. 11, pp. 793–862). https://doi.org/10.1016/S1380-7323(02)80040-1

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