Literature DB >> 12399569

Density functional theory. In pursuit of the "divine" functional.

Ann E Mattsson1.   

Abstract

Year:  2002        PMID： 12399569     DOI： 10.1126/science.1077710

Source DB:  PubMed          Journal:  Science        ISSN： 0036-8075            Impact factor:   47.728


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  4 in total

1.  Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties.

Authors:  Kevin E Riley; Bryan T Op't Holt; Kenneth M Merz
Journal:  J Chem Theory Comput       Date:  2007       Impact factor: 6.006

2.  An electric field-based approach for quantifying effective volumes and radii of chemically affected space.

Authors:  Austin M Mroz; Audrey M Davenport; Jasper Sterling; Joshua Davis; Christopher H Hendon
Journal:  Chem Sci       Date:  2022-05-11       Impact factor: 9.969

3.  Assessment of the "6-31+G** + LANL2DZ" mixed basis set coupled with density functional theory methods and the effective core potential: prediction of heats of formation and ionization potentials for first-row-transition-metal complexes.

Authors:  Yue Yang; Michael N Weaver; Kenneth M Merz
Journal:  J Phys Chem A       Date:  2009-09-10       Impact factor: 2.781

4.  Exact exchange-correlation potential of an ionic Hubbard model with a free surface.

Authors:  V Brosco; Z-J Ying; J Lorenzana
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379
  4 in total

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