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Contraction of completeness-optimized basis sets: application to ground-state electron momentum densities.
Lehtola S, Manninen P, Hakala M, Hämäläinen K. Lehtola S, et al. Among authors: manninen p. J Chem Phys. 2013 Jan 28;138(4):044109. doi: 10.1063/1.4788635. J Chem Phys. 2013. PMID: 23387570
Contrary to conventional methods of basis set generation that optimize the basis set with respect to ground-state energy, completeness-optimization is a completely general, black-box method that can be used to form cost-effective basis sets for any wanted property at any level of …
Contrary to conventional methods of basis set generation that optimize the basis set with respect to ground-state energy, completeness-optim …
193 results