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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. 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{subequations}
\begin{align} \begin{align}
\label{eq:PolChar} \label{eq:PolChar}
@ -446,7 +446,7 @@ From hereon, $i$ and $j$ denote occupied orbitals, $a$ and $b$ denote unoccupied
% BRIEF FLAVOURS OF HF % BRIEF FLAVOURS OF HF
In the most flexible variant of real HF theory (generalised HF) the one-electron orbitals can be complex-valued 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. 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. 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, The advantage of the UHF approximation is its ability to correctly describe strongly correlated systems,

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