# Kohn–Sham equations

## Papers overview

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2017

2017

- Nature Communications
- 2017

Last year, at least 30,000 scientific papers used the Kohn–Sham scheme of density functional theory to solve electronic structure… (More)

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2017

2017

- SIAM J. Math. Analysis
- 2017

In this work, the existence, uniqueness, and regularity of solutions to the timedependent Kohn–Sham equations are investigated… (More)

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2014

2014

- 2014

functional based schemes for calculating structural and dynamical properties in the last decade, we still lack an exchange… (More)

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2012

2012

- 2012

This paper presents a B-splines and NURBS based finite element method for self-consistent solution of the Kohn–Sham equations [1… (More)

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2009

2009

- ACM Trans. Math. Softw.
- 2009

We describe the design and implementation of KSSOLV, a MATLAB toolbox for solving a class of nonlinear eigenvalue problems known… (More)

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2008

2008

- 2008

We study the question of existence and uniqueness for the finite temperature Kohn-Sham equations. For finite volumes, a unique… (More)

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2007

2007

- SIAM J. Scientific Computing
- 2007

The Self Consistent Field (SCF) iteration, widely used for computing the ground state energy and the corresponding single… (More)

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2005

2005

- 2005

The Kohn-Sham (KS) equations determine, in a self-consistent way, the particle density of an interacting fermion system at… (More)

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2004

2004

- 2004

The lack of accurate transferable local pseudopotentials represents one of the remaining barriers to the general application of… (More)

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2001

2001

- 2001

The Kohn-Sham self-consistent equations, urnig a finite orbital basis expansion, are formulated for exchangecodation functionals… (More)

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