Hydrodynamic density functional theory for mixtures from a variational principle and its application to droplet coalescence

2021 ◽  
Vol 155 (13) ◽  
pp. 134101
Author(s):  
Rolf Stierle ◽  
Joachim Gross
Keyword(s):  
Density Functional Theory ◽  
Variational Principle ◽  
Density Functional ◽  
Droplet Coalescence ◽  
Functional Theory

scholarly journals Density Functional Theory of Coulombic Excited States Based on Nodal Variational Principle

Computation ◽  
2021 ◽  
Vol 9 (8) ◽  
pp. 93
Author(s):  
Ágnes Nagy
Keyword(s):  
Density Functional Theory ◽  
Variational Principle ◽  
Excited States ◽  
Density Functional ◽  
Functional Theory ◽  
Correct Number ◽  
The Density Functional Theory

The density functional theory developed earlier for Coulombic excited states is reconsidered using the nodal variational principle. It is much easier to solve the Kohn–Sham equations, because only the correct number of nodes of the orbitals should be insured instead of the orthogonality.

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