This site uses cookies. By continuing to use this site you agree to our use of cookies. To find out more, see our Privacy and Cookies policy.
Close this notification
European Physical Society, find out more

Click here to close this overlay, or press the "Escape" key on your keyboard.

The European Physical Society (EPS) is a not for profit association whose members include 41 National Physical Societies in Europe, individuals from all fields of physics, and European research institutions.

As a learned society, the EPS engages in activities that strengthen ties among the physicists in Europe. As a federation of National Physical Societies, the EPS studies issues of concern to all European countries relating to physics research, science policy and education.

Visit www.eps.org

http://www.eps.org/

Italian Physical Society, find out more

Click here to close this overlay, or press the "Escape" key on your keyboard.

http://www.sif.it/

EDP Sciences, find out more

Click here to close this overlay, or press the "Escape" key on your keyboard.

http://publications.edpsciences.org/

The Institute of Physics, find out more

Click here to close this overlay, or press the "Escape" key on your keyboard.

The Institute of Physics (IOP) is a leading scientific society promoting physics and bringing physicists together for the benefit of all. It has a worldwide membership of around 50 000 comprising physicists from all sectors, as well as those with an interest in physics. It works to advance physics research, application and education; and engages with policy makers and the public to develop awareness and understanding of physics. Its publishing company, IOP Publishing, is a world leader in professional scientific communications.

https://www.iop.org

LDA + Gutzwiller method for correlated electron systems

, and

Published 17 July 2008 Europhysics Letters Association
, ,

0295-5075/83/3/37008

Abstract

We develop an ab initio density functional theory incorporating with Gutzwiller variational approach, which is equally applicable to the ground state of systems ranging from weakly correlated metals to strongly correlated insulators with long-range ordering. We have applied this theory to calculate the electronic structures of three different systems: non-magnetic metal SrVO3, ferromagnetic metals Fe and Ni, and antiferromagnetic insulator NiO. Ground-state properties are all obtained in good agreement with experiments within the same approach.

Export citation and abstract BibTeX RIS

10.1209/0295-5075/83/37008