From f9239557fb6c6e451a29879a2cf76df798893b91 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 2 Dec 2020 10:50:11 +0100 Subject: [PATCH] comment in conclusion --- Manuscript/EPAWTFT.tex | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/Manuscript/EPAWTFT.tex b/Manuscript/EPAWTFT.tex index 28415d8..6ddb0cb 100644 --- a/Manuscript/EPAWTFT.tex +++ b/Manuscript/EPAWTFT.tex @@ -1526,7 +1526,7 @@ The authors illustrate this protocol on the dissociation curve of \ce{LiH} and t \section{Conclusion} %%%%%%%%%%%%%%%%%%%% -In order to model accurately chemical systems, one must choose, in a ever growing zoo of methods, which computational protocol is adapted to the system of interest. +In order to model accurately chemical systems, one must choose, in an ever growing zoo of methods, which computational protocol is adapted to the system of interest. This choice can be, moreover, motivated by the type of properties that one is interested in. That means that one must understand the strengths and weaknesses of each method, \ie, why one method might fail in some cases and work beautifully in others. We have seen that for methods relying on perturbation theory, their successes and failures are directly connected to the position of EPs in the complex plane. @@ -1544,6 +1544,11 @@ We have found that the $\beta$ singularities modelling the ionisation phenomenon Indeed, those singularities close to the real axis are connected to quantum phase transitions and symmetry breaking, and theoretical physics have demonstrated that the behaviour of the EPs depends of the type of transitions from which the EPs result (first or higher orders, ground state or excited state transitions). To conclude, this work shows that our understanding of the singularity structure of the energy is still incomplete but we hope that it opens new perspectives for the understanding of the physics of EPs in electronic structure theory. +\titou{The Hubbard dimer is clearly a very versatile model to understand perturbation theory and could be used for further developments around PT. +Comment on approximants are requiring higher order MP which is expensive. +Paragraph on Paola's stuff.} + + %%%%%%%%%%%%%%%%%%%%%%%% \begin{acknowledgements} %%%%%%%%%%%%%%%%%%%%%%%%