<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear all,<br><font style="font-family: times new roman,new york,times,serif;" size="3">I know that the x-ray absorption spectra are <p:colorscheme colors="#ffffff,#000000,#808080,#330066,#cccc00,#669999,#7e9ce8,#d8d8ec"></p:colorscheme><font size="3"><span style="font-size: 21pt;"><font size="3">calculated for the dipole allowed transitions,</font> <font size="3">generating matrix elements, which are</font> <font size="3">multiplied</font></span><font size="3"><span style="font-size: 21pt;" lang="EN-US"> </span><span style="font-size: 21pt;"><font size="3">with a radial</font> <font size="3">transition probability and the</font> <font size="3">partial densities <font size="3">of states as explained in the userguide.<br><br>But I want to know more detailed principles employed in Wien2k.
However, the references in userguide seem too old to find out.<br> <br>Here are the references mentioned in userguide:<br>Schwarz K., Neckel A and Nordgren J, J.Phys.F:Metal Phys. 9, 2509 (1979)<br>Schwarz K., andWimmer E, J.Phys.F:Metal Phys. 10, 1001 (1980)<br>Neckel A., Schwarz K., Eibler R.. and Rastl P. 1975 Microchim.Acta, Suppl.6, 257.<br><br> Can anybody help me about the references above or recommend some other references about the principles used in Wien2k?<br><br>I will highly appreciate your help.<br>Best regards. <br>LiLy<br>lily_physics@yahoo.com.sg<br><br></font></font></span><font size="5"><span style="font-size: 21pt;"></span></font></font></font></font>
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