generalized kohn-sham

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1
Natural transition orbitals for complex two-component excited state calculations.
Kasper, Joseph M;Li, Xiaosong;
2020 journal of computational chemistry DOI: 10.1002/jcc.26196 157 views
2
Gaussian Basis Sets for Crystalline Solids: All-Purpose Basis Set Libraries vs System-Specific Optimizations.
Daga, Loredana Edith;Civalleri, Bartolomeo;Maschio, Lorenzo;
2020 journal of chemical theory and computation DOI: 10.1021/acs.jctc.9b0... 160 views
3
M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases.
Janesko, Benjamin G;Verma, Pragya;Scalmani, Giovanni;Frisch, Michael J;Truhlar, Donald G;
2020 The journal of physical chemistry letters DOI: 10.1021/acs.jpclett.... 333 views
4
Measuring the difference in nuclear charge radius of Xe isotopes by EUV spectroscopy of highly charged Na-like ions.
Silwal, R;Lapierre, A;Gillaspy, J D;Dreiling, J M;Blundell, S A;Dipti, ;Borovik, A;Gwinner, G;Villar...
2018 physical review a DOI: 10.1103/PhysRevA.98.... 180 views
5
Nature of the Correlated Insulator States in Twisted Bilayer Graphene.
Xie, Ming;MacDonald, A H;
2020 physical review letters DOI: 10.1103/PhysRevLett.... 158 views

Related Journals

journal of computational chemistry
ISSN: 1096-987X 419 views
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