scemama/RSDFT-CIPSI-QMC
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corrections all around

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Pierre-Francois Loos 2020-08-08 14:22:56 +02:00
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Manuscript/rsdft-cipsi-qmc.tex
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@ -379,7 +379,7 @@ the final trial wave function $\Psi^{\mu}$ is independent of the starting wave f
\section{Computational details}
\label{sec:comp-details}
For all the systems considered here, experimental geometries have been considered and they have been extracted from the NIST website.
For all the systems considered here, experimental geometries have been used and they have been extracted from the NIST website \titou{[REF]}.
Geometries for each system are reported in the {\SI}.
All the calculations have been performed using Burkatzki-Filippi-Dolg (BFD)