Density and density-matrix functional theories

Including improved functionals and time-dependent DFT

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

Joyeta
2 years ago
Joyeta 2 years ago

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

Matisse
2 years ago
Matisse 2 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.




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