“From global to local – hybrid density functionals\\for weak and strong correlation” H. Bahmann, Chemical Modelling: Volume 16 (accepted)<\/p>\n\n\n\n
\u201cSelf-Consistent Implementation of Hybrid Functionals with Local Range-Separation\u201d, S. Klawohn, H. Bahmann, J. Chem. Theory Comput. <\/em>16, 953, 2020<\/p>\n\n\n\n \u201cThe shell model for the exchange-correlation hole in the strong-correlation limit\u201d, \u201cImplementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques\u201d, S. Klawohn, H. Bahmann, M. Kaupp, J. Chem. Theory Comput.<\/em> 12, <\/strong>4254 (2016)<\/p>\n\n\n\n \u201cValidation of local hybrid functionals for TDDFT calculations of electronic excitation energies\u201d, T. M. Maier, H. Bahmann, A. V. Arbuznikov, M. Kaupp, J. Chem. Phys. <\/em>144<\/strong>, 074106 (2016).<\/p>\n\n\n\n \u201cConstruction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit\u201d, \u201cEfficient semi-numerical implementation of global and local hybrid functionals for time-dependent density functional theory\u201d, T. Maier, H. Bahmann, M. Kaupp, J. Chem. Theory Comput. 11, <\/strong>4226 (2015).<\/p>\n\n\n\n \u201cDesign of exchange-correlation functionals through the correlation factor approach\u201d, J. Pavl\u00edkov\u00e1 Pr\u011bcecht\u011blov\u00e1, H. Bahmann, M. Kaupp, M. Ernzerhof, J. Chem. Phys.<\/em> 143<\/strong>, 144102 (2015).<\/p>\n\n\n\n \u201cEfficient self-consistent implementation of local hybrid functionals\u201d, \u00a0\u201cA non-empirical correlation factor model for the exchange-correlation energy\u201d, \u201cEvaluation of a combination of local hybrid functionals with DFT-D3 corrections for the calculation of thermochemical and kinetic Data\u201d, K. Theilacker, A. Arbuznikov, H. Bahmann, M. Kaupp,\u00a0 J. Phys. Chem. A<\/em>, 115<\/strong>, 8990 (2011).<\/p>\n\n\n\n \u201cOn occupied-orbital dependent exchange-correlation functionals: From local lybrids to Becke\u2019s B05 model\u201d, M. Kaupp, A. Arbuznikov, H. Bahmann, Z. Phys. Chem. <\/em>224<\/strong>, 545-567 (2010).<\/p>\n\n\n\n “Local hybrid functionals with an explicit dependence on spin polarization”, A. Arbuznikov, H. Bahmann, M. Kaupp, J. Phys. Chem. A <\/em>113<\/strong>, 11898\u201311906 (2009).<\/p>\n\n\n\n “Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz”, H. Bahmann, M. Ernzerhof, J. Chem. Phys.<\/em> 128<\/strong>, 2341041 – 2341049 (2008).<\/p>\n\n\n\n “Local hybrid functionals: An assessment for thermochemical kinetics”, M. Kaupp, H. Bahmann, A. V. Arbuznikov, J. Chem. Phys. <\/em>127<\/strong>, 1941021 – 19410212 (2007).<\/p>\n\n\n\n “A thermochemically competitive local hybrid functional without gradient corrections”, “Electron transmission through aromatic molecules”, M. Ernzerhof, H. Bahmann, F. Goyer, M. Zhuang, P. Rocheleau, J. Chem. Theory Comput. <\/em>2<\/strong>, 1291 – 1297 (2006).<\/p>\n\n\n\n “From local hybrid functionals to ‘localized local hybrid’ potentials: Formalism and thermochemical tests”, A. V. Arbuznikov, M. Kaupp, H. Bahmann, J. Chem. Phys. <\/em>124<\/strong>, 2041021 – 20410215 (2006). <\/p>\n","protected":false},"excerpt":{"rendered":" Book chapter “From global to local – hybrid density functionals\\for weak and strong correlation” H. Bahmann, Chemical Modelling: Volume 16 (accepted) Peer-reviewed articles \u201cSelf-Consistent Implementation of Hybrid Functionals with Local Range-Separation\u201d, S. Klawohn, H. Bahmann, J. Chem. Theory Comput. 16, Continue Reading …<\/a><\/span><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-23","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=\/wp\/v2\/pages\/23","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=23"}],"version-history":[{"count":3,"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=\/wp\/v2\/pages\/23\/revisions"}],"predecessor-version":[{"id":40,"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=\/wp\/v2\/pages\/23\/revisions\/40"}],"wp:attachment":[{"href":"https:\/\/bahmann-dft.uni-saarland.de\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=23"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}
H. Bahmann, Y. Zhou, M. Ernzerhof, J. Chem. Phys. <\/em>145<\/strong>, 124104 (2016)<\/p>\n\n\n\n
Y. Zhou, H. Bahmann, M. Ernzerhof, J. Chem. Phys. <\/em>143<\/strong>, 124103 (2015).<\/p>\n\n\n\n
H. Bahmann, M. Kaupp, J. Chem. Theory Comput. 11<\/strong>, 1540 (2015).<\/p>\n\n\n\n
J. Pr\u011bcecht\u011blov\u00e1, H. Bahmann, M. Kaupp, M. Ernzerhof, J. Chem. Phys. <\/em>141, 111102 (2014).<\/p>\n\n\n\n
H. Bahmann, A. Rodenberg, A. V. Arbuznikov, M. Kaupp, J. Chem. Phys. <\/em>126<\/strong>, 0111031 – 0111034 (2007).<\/p>\n\n\n\n