<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">C. Koenig</style></author><author><style face="normal" font="default" size="100%">N. Stefanou</style></author><author><style face="normal" font="default" size="100%">J.M. Koch</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Point defects in ordered metallic compounds. I. Electronic-structure calculation by the linear-muffin-tin-orbital method</style></title><secondary-title><style face="normal" font="default" size="100%">Physical Review B</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">1986</style></year></dates><volume><style face="normal" font="default" size="100%">33</style></volume><pages><style face="normal" font="default" size="100%">5307-5318</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;span id=&quot;yui_3_14_1_1_1415465683811_4948&quot; class=&quot;full&quot;&gt;The general formalism describing the electronic structure of dilute impurities in ordered compounds within the linear-muffin-tin-orbital approximation is presented. It is derived by considering the proper limit in the Green-function theory within the multiple-scattering formalism. The method thus obtained retains the advantages of the Green-function method for ab initio self-consistent calculations, but with reduced numerical efforts. We discuss in great detail several important aspects of its practical application towards point defects in cubic ordered metallic compounds; the part played by Friedel's screening rule, the calculation of the charge perturbations induced in the host, and the use of the complex-plane integration method are especially stressed. &lt;/span&gt;</style></abstract><issue><style face="normal" font="default" size="100%">8</style></issue></record></records></xml>