O'Reilly logo

Electronic Structure by Richard M. Martin

Stay ahead with the world's most comprehensive technology and business learning platform.

With Safari, you learn the way you learn best. Get unlimited access to videos, live online training, learning paths, books, tutorials, and more.

Start Free Trial

No credit card required

7

The Kohn–Sham auxiliary system

 

If you don’t like the answer, change the question.

Summary

Density functional theory is the most widely used method today for electronic structure calculations because of the approach proposed by Kohn and Sham in 1965: to replace the original many-body problem by an auxiliary independent-particle problem. This is an ansatz1 that, in principle, leads to exact calculations of properties of many-body systems using independent-particle methods; in practice, it has made possible approximate formulations that have proved to be remarkably successful. As a self-consistent method, the Kohn–Sham approach involves independent particles but an interacting density, an appreciation of which clarifies the way the method ...

With Safari, you learn the way you learn best. Get unlimited access to videos, live online training, learning paths, books, interactive tutorials, and more.

Start Free Trial

No credit card required