From density functional theory to conceptual density functional theory and biosystems

HIGHLIGHTS

• who: Paul Geerlings from the (UNIVERSITY) have published the Article: From Density Functional Theory to Conceptual Density Functional Theory and Biosystems, in the Journal: Pharmaceuticals 2022, 15, 1112. of 27/08/2022
• what: In Kohn this landmark landmark paper paper 1978, of 1978, a theorem a theorem from from variational variational calculus calculus was was usedused to to E u03a8, E which u03a8, which can also can be also obtained be obtained in a variational in a variational ansatz. ansatz. In recent years, the work by Grillo et_al should be mentioned, who, using semi-empirical . . .
  

   

  

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