Large scale hybrid DFT functionals: fast algorithms and finite-size effects

Lin Lin
University of California, Berkeley (UC Berkeley)

I will discuss recent progress in accelerating DFT calculations with hybrid functionals, which requires the solution of Hartree-Fock-like equations. In the second part of the talk, I will discuss the finite-size effects of Hartree-Fock calculations for periodic systems.

Back to Workshop III: Large-Scale Certified Numerical Methods in Quantum Mechanics