XC Hartree-Fock, is it possible?
Posted: Tue Oct 08, 2013 12:50 am
Hello Qbox users and developers,
I wonder if it is possible to compute energies with only Hartree-Fock exchange.
I understand that hybrid functionals are possible, and in a very efficient way.
But I would like to know if I could compute with only HF exchange in the KS
equations in Qbox, and what are the consequences regarding the use of
pseudopotentials.
Thanks in advance,
//vama
I wonder if it is possible to compute energies with only Hartree-Fock exchange.
I understand that hybrid functionals are possible, and in a very efficient way.
But I would like to know if I could compute with only HF exchange in the KS
equations in Qbox, and what are the consequences regarding the use of
pseudopotentials.
Thanks in advance,
//vama