XC Hartree-Fock, is it possible?

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vama
Posts: 3
Joined: Thu Aug 02, 2012 12:30 am

XC Hartree-Fock, is it possible?

Post by vama »

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
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