Search found 4 matches
- Thu Mar 01, 2018 10:33 am
- Forum: Quantum Monte Carlo
- Topic: electron-plasmon interaction
- Replies: 1
- Views: 23681
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...
- Tue Mar 10, 2015 2:12 pm
- Forum: Computational electronic structure
- Topic: correlation and semicore levels in the pseudopotential
- Replies: 0
- Views: 53948
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
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
- Tue Mar 10, 2015 1:58 pm
- Forum: The CASINO program
- Topic: Spin-orbit pseudopotential
- Replies: 2
- Views: 9593
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...
- Tue Mar 10, 2015 1:35 pm
- Forum: Quantum Monte Carlo
- Topic: metal-insulator transition temperature from QMC?
- Replies: 0
- Views: 56338
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
I have this question of whether quantum monte carlo is able to predict the metal-insulator transition temperature
regards
Manuel