From 04352db9a9dac7651cb6c0b9e44214f31dd10db2 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Sun, 23 Aug 2020 15:17:57 +0200 Subject: [PATCH] minor --- Manuscript/rsdft-cipsi-qmc.tex | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/Manuscript/rsdft-cipsi-qmc.tex b/Manuscript/rsdft-cipsi-qmc.tex index 156fc57..ce80db2 100644 --- a/Manuscript/rsdft-cipsi-qmc.tex +++ b/Manuscript/rsdft-cipsi-qmc.tex @@ -1163,11 +1163,10 @@ below $1$ m\hartree{} when $\mu$ increases. As expected, with $\mu=\infty$ we observe a perfect spin-invariance of the energy (within the error bars), and the bias is not noticeable for $\mu=5$~bohr$^{-1}$. -Hence, at the FN-DMC level the error due to the lack of -spin-invariance with RS-DFT-CIPSI trial wave functions is below the -chemical accuracy, and is not expected to be problematic for the -comparison of energies of systems with different spin quantum numbers -as in atomization energies. +Hence, at the FN-DMC level, the error due to +the spin invariance with RS-DFT-CIPSI trial wave functions is below the +chemical accuracy threshold, and is not expected to be problematic for the +comparison of atomization energies. %%% TABLE IV %%% \begin{table}