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Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale born-oppenheimer direct dynamics., , , , , , and . Journal of Computational Chemistry, 34 (7): 533-544 (2013)The trust-region self-consistent field method in Kohn-Sham density-functional theory, , , , , and . J. Chem. Phys., 123 (7): 74103 (2005)Four-component relativistic Kohn-Sham theory., and . Journal of Computational Chemistry, 23 (8): 814-823 (2002)Electron correlation: The many-body problem at the heart of chemistry., , and . Journal of Computational Chemistry, 28 (8): 1307-1320 (2007)Attractive electron-electron interactions within robust local fitting approximations., , , , , , and . Journal of Computational Chemistry, 34 (17): 1486-1496 (2013)Basis-set completeness profiles in two dimensions., , and . Journal of Computational Chemistry, 23 (3): 420-425 (2002)Internal-to-cartesian back transformation of molecular geometry steps using high-order geometric derivatives., , and . Journal of Computational Chemistry, 34 (21): 1842-1849 (2013)Solvent effects on the NMR parameters of H2S and HCN., , and . Journal of Computational Chemistry, 20 (12): 1281-1291 (1999)