(* Printing head for each example *)
exampf = ToFileName[dir, "index.htm"];
of = oexampf = open[exampf];
"<!DOCTYPE HTML PUBLIC \"-//W3C//DTD HTML 3.2//EN\">" // p;
"<HTML><HEAD>" // p;
"<TITLE>Moller-Plesset perturbation theory: example "" <> name <>
""</TITLE>" // p;
"<META name=\"description\" content=\"Moller-Plesset perturbation series is taken from the file "" <>
fdat <> ".dat"\">" // p;
"<META name=\"keywords\" content=\"quantum mechanics, Moller Plesset perturbation theory, summation, Pade approximants\">" // p;
"</HEAD><BODY BGCOLOR=\"#C0C0C0\"><A NAME=\"top\"></A>" // p;
"<CENTER><H1>Møller-Plesset perturbation theory: example "" <> name <>
""</H1>\n
<H2>Molecule " <> molec <> ". Basis "<> bas <> ". Structure "" <> fdat <>
""</H2>\n
</CENTER><H3>Content</H3>\n
<UL>\n
<LI><A HREF=\"#ctable\">Table of coefficients and partial sums</A>\n
<LI><A HREF=\"#cplot\">Semilogarithmic plot of coefficients</A>\n
<LI><A HREF=\"#cplots\">Plot of scaled coefficients</A>\n
<LI><A HREF=\"#errors\">Convergence of summation approximants</A>\n
<LI><A HREF=\"#sings3\">Singularities of approximants in complex plane</A>\n
<LI><A HREF=\"sings.htm\">Table of singularities with their weights</A>\n
<LI><A HREF=\"#function\">Plot of the energy function found by summation of the series</A>\n
<LI><A HREF=\"#bugs\">Known inaccuracies</A>\n
</UL>" // p;
"<HR>" <> ruler <> "<HR>" // p;
refbar = "<TABLE BORDER=0 CELLSPACING=0 CELLPADDING=0><TR ALIGN=\"CENTER\" VALIGN=\"MIDDLE\"><TD NOWRAP>
<A HREF=\"../index.htm\">
<IMG SRC=\"../../../../iconz/molec1.gif\" WIDTH=36 HEIGHT=41 BORDER=0 ALIGN=\"ABSMIDDLE\" ALT=\"Molecule - icon for Allen-data\">
<IMG SRC=\"../../../../blank.gif\" WIDTH=2 HEIGHT=1 BORDER=0 ALIGN=\"ABSMIDDLE\" ALT=\"Blank\">Examples of MP series</A>
<IMG SRC=\"../../../../blank.gif\" WIDTH=32 HEIGHT=1 ALT=\"Blank\">
<A HREF=\"../proglist.htm\">
<IMG SRC=\"../../../../iconz/mathemat.gif\" WIDTH=17 HEIGHT=16 BORDER=0 ALIGN=\"MIDDLE\" ALT=\"Source code of Mathematica program\">
<IMG SRC=\"../../../../blank.gif\" WIDTH=5 HEIGHT=1 BORDER=0 ALIGN=\"ABSMIDDLE\" ALT=\"Blank\"><I>Mathematica</I> programs</A>
<IMG SRC=\"../../../../blank.gif\" WIDTH=32 HEIGHT=1 ALT=\"Blank\">
<A HREF=\"../../index.htm\">
<IMG SRC=\"../../../../iconz/whale.gif\" WIDTH=40 HEIGHT=35 BORDER=0 ALIGN=\"ABSMIDDLE\" ALT=\"Work in UMass Dartmouth\">Work in UMassD</A>
<IMG SRC=\"../../../../blank.gif\" WIDTH=32 HEIGHT=1 ALT=\"Blank\">
<A HREF=\"../../../reports.htm\">
<IMG SRC=\"../../../waste.gif\" WIDTH=32 HEIGHT=43 BORDER=0 ALIGN=\"ABSMIDDLE\" ALT=\"Waste icon\">Unpublished reports</A>
</TD></TR></TABLE>";
refbar = StringReplace[refbar, "> <"->"><"];
refbar // p;
"<HR>" // p;
printprogr["head"]; |
Designed by A. Sergeev.