Search found 4 matches

by perez2014
Thu Mar 01, 2018 10:33 am
Forum: Quantum Monte Carlo
Topic: electron-plasmon interaction
Replies: 1
Views: 5959

electron-plasmon interaction

Dear all I have a question regarding excited states with QMC (and casino): is it possible to perform computations on metal surfaces that explicitly incude the electron-plasmon interaction? would that be directly accessible/implemented? My main interest is in spectroscopy, trying to correlate photoem...
by perez2014
Tue Mar 10, 2015 2:12 pm
Forum: Computational electronic structure
Topic: correlation and semicore levels in the pseudopotential
Replies: 0
Views: 7323

correlation and semicore levels in the pseudopotential

hi

is there anything known about the possible effect that including (or not) semicore electrons as valence electrons in the pseudopotential
of a d-electron element, could have on the accuracy of electron correlation energy for a compound including it?

regards

Manuel
by perez2014
Tue Mar 10, 2015 1:58 pm
Forum: The CASINO program
Topic: Spin-orbit pseudopotential
Replies: 2
Views: 3911

Re: Spin-orbit pseudopotential

hi I've just come across this email from long ago, and I happen to be looking at a topic related to pseudopotentials that include spin-orbit effects it is probably unrelated to the interest of the person asking, but, I would like to mention HGH pseudopotentials (Hartwigsen, Goedecker and Hutter, 199...
by perez2014
Tue Mar 10, 2015 1:35 pm
Forum: Quantum Monte Carlo
Topic: metal-insulator transition temperature from QMC?
Replies: 0
Views: 8189

metal-insulator transition temperature from QMC?

hello

I have this question of whether quantum monte carlo is able to predict the metal-insulator transition temperature

regards

Manuel