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Showing 1 to 2 of 2 for “"total energy functional"”.
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Taming the Inverse and Forward Problems in Density Functional Theory
The `forward problem' of ground-state density functional theory (DFT) constitutes finding the ground-state density $n(x)$ that minimises a Kohn-Sham total energy functional defined using some exchange-correlation (xc) functional $E_\text{xc}[n]$. Towards this end, the associated Euler-Lagrange …
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Modified Stochastic Sine-Gordon Equation
… related to the SPDE), to control its energy, existence, uniqueness, continuity and stability. The analysis relies on the investigation of expected Lyapunov functional of the energy in terms of all system-parameters. We simulate the model with respect to all system-parameters to …