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Anthony Scemama 2024-04-19 16:25:54 +02:00
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5
Manuscript/stochastic_triples.bib
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@ -237,13 +237,14 @@ i@article{watson_2016,
issn = {1549-9618},
publisher = {American Chemical Society},
doi = {10.1021/acs.jctc.9b00176},
note = {\url{https://archive.softwareheritage.org/swh:1:dir:6d82ae7ac757c78d7720dd89dfa52d7a453d2f68;origin=https://github.com/QuantumPackage/qp2;visit=swh:1:snp:1f9d307c45a14259eea8991c328065400029b975;anchor=swh:1:rev:c63b69e8dac8017d6415df602c5f7f5c02e35a2a;path=/src/ccsd/}}
note = {\url{
swh:1:dir:6d82ae7ac757c78d7720dd89dfa52d7a453d2f68;origin=https://github.com/QuantumPackage/qp2;visit=swh:1:snp:402c2c2b30ef63cfd75b7a985700bc794ff07859;anchor=swh:1:rev:0c8845f5f208e1c405a6aa5aba1ceb276ddbdcdf;path=/src/ccsd/}}
}
@misc{form_w_abc,
title = {Formation of the {$W$} tensor in Quantum Package},
year = {2024},
note = {\url{https://archive.softwareheritage.org/swh:1:cnt:12a71045f2333584fe7b499f1c70b5ff2dc4989c;origin=https://github.com/QuantumPackage/qp2;visit=swh:1:snp:1f9d307c45a14259eea8991c328065400029b975;anchor=swh:1:rev:c63b69e8dac8017d6415df602c5f7f5c02e35a2a;path=/src/ccsd/ccsd_t_space_orb_abc.irp.f;lines=233-395}}
note = {\url{https://archive.softwareheritage.org/swh:1:cnt:12a71045f2333584fe7b499f1c70b5ff2dc4989c;origin=https://github.com/QuantumPackage/qp2;visit=swh:1:snp:402c2c2b30ef63cfd75b7a985700bc794ff07859;anchor=swh:1:rev:0c8845f5f208e1c405a6aa5aba1ceb276ddbdcdf;path=/src/ccsd/ccsd_t_space_orb_abc.irp.f;lines=233-395}}
}

2
Manuscript/stochastic_triples.tex
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@ -376,7 +376,7 @@ less precise data points. These findings are supported by an analysis of
machine learning models, where noise not only helped improve model accuracy but
also enabled error estimation in model predictions.
Similarly to QMC, our semi-stochastic formulation could take advantage of many
low-accuracy points.
points computed with a low accuracy.
In this section, we discuss the application of our novel algorithm within the context of computing vibrational frequencies, specifically through the example of copper chloride (\ce{CuCl}).