(* Printing footer for each example *) "<HR>" <> ruler <> "<HR>" // p; "<A NAME=\"bugs\"></A><H3>Known inaccuracies</H3>\n <UL> <LI>We always sum the series <BR><I>F</I>(<I>z</I>) = MP1 + (MP2-MP1) <I>z</I> + (MP3-MP2) <I>z</I><SUP>2</SUP> + ... rather than a complete Møller-Plesset series <BR><I>E</I>(<I>z</I>) = MP0 + (MP1-MP0) <I>z</I> + (MP2-MP1) <I>z</I><SUP>2</SUP> + ... where <I>F</I>(<I>z</I>) is expressed through <I>E</I>(<I>z</I>) by a formula <BR><I>F</I>(<I>z</I>) = MP0 + [<I>E</I>(<I>z</I>) - MP0] <I>z</I><SUP>-1</SUP>.\n <LI>On the <A HREF=\"sings.htm\">page</A>, table of singularities with their weights for <I>differential</I> approximants is absent." // p; If[NumberQ[engap], "<LI>The lowest excited energy level shown on the <A HREF=\"#function\">plot</A> of the function <I>E</I>(<I>z</I>) was calculated using data for "HOMO-LUMO gap in canonical RHF orbitals" from the paper J. Chem. Phys., vol. 112, p. 9213. It likely corresponds to <I>z</I> = 0 rather than <I>z</I> = 1 as marked on the <A HREF=\"#function\">plot</A>." // p; ]; "</UL><HR>" // p; refbar // p; "<P><FONT SIZE=\"-2\">Designed by <A HREF=\"../../../../index.htm\">A. Sergeev</A></FONT>.</P></BODY></HTML>" // p; close[exampf]; printprogr["foot"]; |
Designed by A. Sergeev.