Kohn–Sham equations

Known as: Kohn-Sham, Kohn-Sham equations, Sham

In physics and quantum chemistry, specifically density functional theory, the Kohn–Sham equation is the Schrödinger equation of a fictitious system…

Papers overview

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2016

Using a simplified one-dimensional model of a diatomic molecule, the associated interacting density and corresponding Kohn-Sham…

2012

In this work, we analyze in detail the relation between electronic structure and fluorine nuclear magnetic resonance (NMR…

2010

If the South African War (1899–1902) proved the supreme test for the late Victorian army, many writers taking their cue from the…

2001

The x-ray Faraday effect at the ${L}_{2,3}$ edges of the $3d$ ferromagnets Fe, Co, Ni and of ${\mathrm{Fe}}_{0.5}{\mathrm{Ni}}_{0…

1998

Abstract : Density functional calculations have been carried out for twelve molecules by several different Kohn-Sham procedures…

1995

A current‐density functional theory for the calculation of nuclear magnetic resonance chemical shifts is presented. If the Kohn…

1993

Virgin German cockroach adult females release an attractant that can be extracted with organic solvents and trapped from air…

1991

Traditional superconductivity of pure metals is well described as a phenomenon of homogeneous media. Due to the relatively large…

1973

Glycoprotein complexes were extracted from Phaseolus vulgaris var. Pinto infected with tobacco mosaic virus (TMV) or with tobacco…

1973