Density and density-matrix functional theories

Including improved functionals and time-dependent DFT

How to calculate entanglement and entanglement e ... (1 reply)

3 years ago

Joyeta 3 years ago

I am a beginner in DFT calculation. I want to measure entanglement for a model Hamiltonian using DFT. How to start?

3 years ago

Matisse 3 years ago

Linking entanglement and quantum phase transitions via density-functional theory,

L.-A. Wu, M. S. Sarandy, D. A. Lidar and L. J. Sham

PHYSICAL REVIEW A 74, 052335 (2006)

This might help.

Back to Density and density-matrix functional theories...

The full list of Psi-k funded workshops for 2020/21 can now be viewed here.

We would also like to ask everyone in the Psi-k community to download a copy of the Psi-k Workshops poster and display it at their institution. Help us to raise the profile of Psi-k around the world!

Psi-k Workshops 2020/21
February 13, 2020 Damian Jones Leave a comment
Walter Temmerman and Dzidka Szotek

This new Psi-k web site is dedicated to Walter Temmerman (1950-2014) who, with his wife Zdzislawa Szotek, was one of the key figures involved in the conception, foundation, and success of Psi-k in Europe.

Walter Temmerman
August 1, 2014 Damian Jones 2 Comments

More images →

Ab initio (from electronic structure) calculation of complex processes in materials