Comments welcome via email: <a href="mailto:natalie@wfu.edu"> 
natalie@wfu.edu. </a><br><br>

<h4>
 Analysis of numerical methods for evaluating the Fock exchange integral 
in a plane wave basis
</h4> <br>

N. A. W. Holzwarth and Xiao Xu, 
<a href="http://link.aps.org/doi/10.1103/PhysRevB.84.113102">
<i>  Phys. Rev. B </i>   <b>84</b> 113102  (4 pgs; brief report) (2011)</a>



<a href=
"http://www.wfu.edu/~natalie/papers/BRFock/PRB.e113102.pdf">
local copy </a> <br>


<p>

In this brief report, we analyze methods for evaluating the singular 
integrals of the Fock exchange interaction
with the help of a simple analytic model. We find that Brillouin zone 
sampling can be important even for systems with large unit cells.




<p>
<hr></p>


<hr><ul>
<li><i><a
href="../../index.html"> Home Page for N. A. W. Holzwarth </a></i> </li>
<li><i><a
href="/physics/index.html">Department of Physics
Home Page</a></i> </li>
<li><i><a
href="http://www.wfu.edu/start.html">Wake Forest home
page</a></i></li></ul>

[an error occurred while processing this directive] <hr> Last
modfied: Tuesday, 06-Sep-11 11:09:45<br> Access count: 3,783
</body></html>