Dear Dr. Ivani\u0161t\u0161ev,<\/p>\n
Thank you again for your contribution to the following Special Issue, which has been published in our open access journal Computation (ISSN 2079-3197).<\/p>\n
“50th Anniversary of the Kohn-Sham Theory\u2014Advances in Density Functional Theory” All articles can be accessed freely online. For your convenience, we attach below a consolidated table of contents. If you think it appropriate, we invite you to share this message further with your peers.<\/p>\n Table of contents<\/p>\n Darghouth, A.A.M.H.M.; Casida, M.E.; Taouali, W.; Alimi, K.; Ljungberg, M.P.; Koval, P.; S\u00e1nchez-Portal, D.; Foerster, D. Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations. Computation 2015, 3, 616-656; doi:10.3390\/ Tao, S.X.; Theulings, A.M.M.G.; Prodanovi\u0107, V.; Smedley, J.; van der Graaf, H. Optical Properties of Silicon-Rich Silicon Nitride (SixNyHz) from First Principles. Computation 2015, 3, 657-669; doi:10.3390\/ Amovilli, C.; Floris, F.M.; Grisafi, A. Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals. Computation 2016, 4, 10; doi:10.3390\/ Tkachuk, O.I.; Terebinskaya, M.I.; Lobanov, V.V.; Arbuznikov, A.V. Influence of the Localization of Ge Atoms within the Si(001)(4 \u00d7 2) Surface Layer on Semicore One-Electron States. Computation 2016, 4, 14; doi:10.3390\/ Dharma-wardana, M.W.C. Current Issues in Finite-T Density-Functional Theory and Warm-Correlated Matter \u2020. Computation 2016, 4, 16; doi:10.3390\/ Constantin, L.A.; Fabiano, E.; Della Sala, F. Kinetic and Exchange Energy Densities near the Nucleus. Computation 2016, 4, 19; doi:10.3390\/ Civalleri, B.; Dovesi, R.; Pernot, P.; Presti, D.; Savin, A. On the Use of Benchmarks for Multiple Properties. Computation 2016, 4, 20, 20; doi:10.3390\/ D\u00e4ne, M.; Gonis, A. On the v-Representabilty Problem in Density Functional Theory: Application to Non-Interacting Systems. Computation 2016, 4, 24; doi:10.3390\/ Tsuneda, T.; Maeda, S.; Harabuchi, Y.; Singh, R.K. Orbital Energy-Based Reaction Analysis of SN2 Reactions. Computation 2016, 4, 23; doi:10.3390\/ Karu, K.; Ruzanov, A.; Ers, H.; Ivani\u0161t\u0161ev, V.; Lage-Estebanez, I.; Garc\u00eda de la Vega, J.M. Predictions of Physicochemical Properties of Ionic Liquids with DFT. Computation 2016, 4, 25; doi:10.3390\/ Juarez, F.; Soldano, G.; Santos, E.; Guesmi, H.; Tielens, F.; Mineva, T. Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications. Computation 2016, 4, 26; doi:10.3390\/ Glushkov, V.; Levy, M. Highly Excited States from a Time Independent Density Functional Method. Computation 2016, 4, 28; doi:10.3390\/ Sahni, V.; Pan, X.-Y.; Yang, T. Electron Correlations in Local Effective Potential Theory. Computation 2016, 4, 30; doi:10.3390\/ Schmidt, T.; K\u00fcmmel, S. The Influence of One-Electron Self-Interaction on d-Electrons. Computation 2016, 4, 33; doi:10.3390\/ Acharya, S.R.; Turkowski, V.; Rahman, T.S. Towards TDDFT for Strongly Correlated Materials. Computation2016, 4, 34; doi:10.3390\/ Schwarz, K.; Sham, L.J.; Mattsson, A.E.; Scheffler, M. Obituary for Walter Kohn (1923\u20132016). Computation2016, 4, 40; doi:10.3390\/ Nagy, \u00c1.; Schwarz, K. Special Issue \u201c50th Anniversary of the Kohn\u2013Sham Theory\u2014Advances in Density Functional Theory\u201d. Computation 2016, 4, 45; doi:10.3390\/ Best regards, Computation (ISSN 2079-3197; http:\/\/www.mdpi.com\/journal\/ Dear Dr. Ivani\u0161t\u0161ev, Thank you again for your contribution to the following Special Issue, which has been published in our open access journal Computation (ISSN 2079-3197). “50th Anniversary of the Kohn-Sham Theory\u2014Advances in Density Functional Theory” Guest edited by Prof. Dr. Karlheinz Schwarz and Prof. Dr. Agnes Nagy http:\/\/www.mdpi.com\/si\/computation\/50th-anniversary-kohn-sham-theory All articles can be accessed freely… Read More<\/a><\/p>\n","protected":false},"author":5,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[11],"tags":[29],"class_list":["post-276","post","type-post","status-publish","format-standard","hentry","category-highlights","tag-altmetric"],"_links":{"self":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts\/276","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/users\/5"}],"replies":[{"embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/comments?post=276"}],"version-history":[{"count":1,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts\/276\/revisions"}],"predecessor-version":[{"id":277,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/posts\/276\/revisions\/277"}],"wp:attachment":[{"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/media?parent=276"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/categories?post=276"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/doublelayer.eu\/vilab\/wp-json\/wp\/v2\/tags?post=276"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}
\nGuest edited by Prof. Dr. Karlheinz Schwarz and Prof. Dr. Agnes Nagy
\nhttp:\/\/www.mdpi.com\/si\/
\nMs. Lei Chen
\nAssistant Editor<\/p>\n