Difference between revisions of "Uemoto Testpage"

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=== Time Dependent Kohn-Sham Equation ===
 
<math>
 
<math>
 
i \hbar
 
i \hbar
\frac{\partial \psi}{\partial t}
+
\frac{\partial}{\partial t}
 +
u_{n, k}
 
=
 
=
\mathcal{H}
+
\left[
\psi
+
\frac{1}{2m} \left(
 +
{p}^2
 +
+
 +
\frac{e}{c}{{A}}
 +
\right)
 +
+
 +
V_\mathrm{H}
 +
+
 +
V_\mathrm{XC}
 +
+
 +
V_\mathrm{nucl}
 +
\right]
 +
u_{n,k}
 
</math>
 
</math>
 +
 +
- <math> u_nk </math> is the Kohn-Sham orbital.
 +
 +
- <math> A </math> is the vector potential.

Latest revision as of 18:55, 7 June 2017

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Time Dependent Kohn-Sham Equation

[math] i \hbar \frac{\partial}{\partial t} u_{n, k} = \left[ \frac{1}{2m} \left( {p}^2 + \frac{e}{c}{{A}} \right) + V_\mathrm{H} + V_\mathrm{XC} + V_\mathrm{nucl} \right] u_{n,k} [/math]

- [math] u_nk [/math] is the Kohn-Sham orbital.

- [math] A [/math] is the vector potential.