Small fixes
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@ -18,6 +18,8 @@
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\newcommand{\alert}[1]{\textcolor{red}{#1}}
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\definecolor{darkgreen}{HTML}{009900}
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\usepackage[normalem]{ulem}
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\newcommand{\toto}[1]{\textcolor{blue}{#1}}
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\newcommand{\trashAS}[1]{\textcolor{blue}{\sout{#1}}}
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\newcommand{\titou}[1]{\textcolor{red}{#1}}
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\newcommand{\trashPFL}[1]{\textcolor{red}{\sout{#1}}}
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\newcommand{\PFL}[1]{\titou{(\underline{\bf PFL}: #1)}}
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@ -102,8 +104,13 @@ sets because the constraints imposed by the FN approximation
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are less severe than the constraints imposed by the finite-basis
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approximation.
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\titou{However, it is usually harder to control the FN error in DMC, and this might affect energy differences such as atomization energies.
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Moreover, improving systematically the nodal surface of the trial wave function can be a tricky job as there is no variational principle for the nodes.}
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However, it is usually harder to control the FN error in DMC, and this
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might affect energy differences such as atomization energies.
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Moreover, improving systematically the nodal surface of the trial wave
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function can be a tricky job as \trashAS{there is no variational
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principle for the nodes}\toto{the derivatives of the FN-DMC energy
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with respect to the variational parameters of the wave function can't
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be computed}.
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The qualitative picture of the electronic structure of weakly
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correlated systems, such as organic molecules near their equilibrium
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@ -599,8 +606,9 @@ Ref.~\onlinecite{Scemama_2015}).
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%\begin{squeezetable}
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\begin{table}
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\caption{FN-DMC energies (in hartree) of the fluorine atom and the dissociated fluorine
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dimer, and size-consistency error. \titou{BASIS?}}
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\caption{FN-DMC energies (in hartree) using the VDZ-BFD basis set
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and pseudo-potential of the fluorine atom and the dissociated fluorine
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dimer, and size-consistency error. }
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\label{tab:size-cons}
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\begin{ruledtabular}
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\begin{tabular}{cccc}
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