Updated UMP convergence figure

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Hugh Burton 2020-11-24 15:35:17 +00:00
parent 9b70406eb5
commit a1776634c4
2 changed files with 2 additions and 1 deletions

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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
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
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

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