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Added Mayer GHF reference

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Hugh Burton 2020-11-18 22:23:13 +00:00
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Manuscript/EPAWTFT.tex
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@ -377,7 +377,7 @@ We will demonstrate how the choice of reference Hamiltonian controls the positio
ultimately determines the convergence properties of the perturbation series.
\titou{Practically, to locate EPs in a more complicated systems, one must solve simultaneously the following equations: \cite{Cejnar_2007}
\titou{Practically, to locate EPs in a more complicated systems, one must solve simultaneously the following equations:\cite{Cejnar_2007}
\begin{subequations}
\begin{align}
\label{eq:PolChar}
@ -446,7 +446,7 @@ From hereon, $i$ and $j$ denote occupied orbitals, $a$ and $b$ denote unoccupied
% BRIEF FLAVOURS OF HF
In the most flexible variant of real HF theory (generalised HF) the one-electron orbitals can be complex-valued
and contain a mixture of spin-up and spin-down components.
and contain a mixture of spin-up and spin-down components.\cite{Mayer_1993}
However, the application of HF with some level of constraint on the orbital structure is far more common.
Forcing the spatial part of the orbitals to be the same for spin-up and spin-down electrons leads to restricted HF (RHF) theory, while allowing different for different spins leads to the so-called unrestricted HF (UHF) approach.
The advantage of the UHF approximation is its ability to correctly describe strongly correlated systems,

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References/Mayer_1993.pdf Normal file
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