The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions with a Moreau-Yosida regularized universal Lieb functional and an adaptive damping step is shown to converge to the correct ground-state density
The `forward problem' of ground-state density functional theory (DFT) constitutes finding the ground...
We present for the first time an efficient iterative method to directly solve the four-component Dir...
International audienceWe propose a novel adaptive damping algorithm for the self-consistent field (S...
The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions with a M...
A detailed account of the Kohn-Sham algorithm from quantum chemistry, formulated rigorously in the v...
A sufficiently damped iteration of the Kohn-Sham (KS) equations with the exact functional is proven ...
It is well known that the self-consistent field (SCF) iteration for solving the Kohn-Sham (KS) equat...
In this paper, we study a few theoretical issues in the discretized Kohn-Sham (KS) density functiona...
We discuss techniques for accelerating the self consistent field (SCF) iteration for solving the Koh...
A new framework is presented for evaluating the performance of self-consistent field methods in Kohn...
We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sha...
To obtain convergent numerical approximations without using any orthogonalization operations is of g...
The exact static and time-dependent Kohn-Sham (KS) exchange-correlation potential is extremely chall...
A new framework is presented for evaluating the performance of self-consistent field methods in Kohn...
A detailed account of the Kohn–Sham (KS) algorithm from quantum chemistry, formulated rigorously in ...
The `forward problem' of ground-state density functional theory (DFT) constitutes finding the ground...
We present for the first time an efficient iterative method to directly solve the four-component Dir...
International audienceWe propose a novel adaptive damping algorithm for the self-consistent field (S...
The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions with a M...
A detailed account of the Kohn-Sham algorithm from quantum chemistry, formulated rigorously in the v...
A sufficiently damped iteration of the Kohn-Sham (KS) equations with the exact functional is proven ...
It is well known that the self-consistent field (SCF) iteration for solving the Kohn-Sham (KS) equat...
In this paper, we study a few theoretical issues in the discretized Kohn-Sham (KS) density functiona...
We discuss techniques for accelerating the self consistent field (SCF) iteration for solving the Koh...
A new framework is presented for evaluating the performance of self-consistent field methods in Kohn...
We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn-Sha...
To obtain convergent numerical approximations without using any orthogonalization operations is of g...
The exact static and time-dependent Kohn-Sham (KS) exchange-correlation potential is extremely chall...
A new framework is presented for evaluating the performance of self-consistent field methods in Kohn...
A detailed account of the Kohn–Sham (KS) algorithm from quantum chemistry, formulated rigorously in ...
The `forward problem' of ground-state density functional theory (DFT) constitutes finding the ground...
We present for the first time an efficient iterative method to directly solve the four-component Dir...
International audienceWe propose a novel adaptive damping algorithm for the self-consistent field (S...
DOI
Add to ORKG