Introduction to the Octopus code - TDDFT.org
Introduction to the Octopus code - TDDFT.org
Introduction to the Octopus code - TDDFT.org
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Pseudo-potentials<br />
The a<strong>to</strong>mic potential is very strong.<br />
Lots of core electrons.<br />
Core electrons are independent<br />
of <strong>the</strong> environment.<br />
Replace <strong>the</strong> potential and core electrons<br />
by a pseudo-potential.<br />
Norm-conserving pseudo-potentials<br />
V = Vloc + <br />
|lm〉 (Vl − Vloc) 〈lm|<br />
lm<br />
X. Andrade (EHU/UPV) <strong>Introduction</strong> <strong>to</strong> Oc<strong>to</strong>pus Benasque, September 2008 4 / 20
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