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Updated UMP convergence figure

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Hugh Burton 2020-11-24 15:35:17 +00:00
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Manuscript/EPAWTFT.tex
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@ -950,7 +950,8 @@ sacrificed convergence of the excited-state series so that the chance of ground-
Since the UHF ground state already provides a good approximation to the exact energy, the ground-state sheet of Since the UHF ground state already provides a good approximation to the exact energy, the ground-state sheet of
the UMP energy is relatively flat and the corresponding EP in the Hubbard dimer always lies outside the unit cylinder. the UMP energy is relatively flat and the corresponding EP in the Hubbard dimer always lies outside the unit cylinder.
\hugh{The slow convergence observed in \ce{H2} can then be seen as this EP moves ever closer to one at larger $U/t$ values.} \hugh{The slow convergence observed in \ce{H2}\cite{Gill_1988} can then be seen as this EP
moves closer to one at larger $U/t$ values.}
Furthermore, the majority of the UMP expansion in this regime is concerned with removing spin-contamination from the wave Furthermore, the majority of the UMP expansion in this regime is concerned with removing spin-contamination from the wave
function \hugh{rather than improving the energy. function \hugh{rather than improving the energy.
It is well-known that the spin-projection needed to remove spin-contamination can require non-linear combinations It is well-known that the spin-projection needed to remove spin-contamination can require non-linear combinations

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Manuscript/fig3b.pdf
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