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Anthony Scemama 2019-08-19 12:27:05 +02:00
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url = {https://arxiv.org/abs/1907.01245}
}
@article{Dash2019May,
author = {Dash, Monika and Feldt, Jonas and Moroni, Saverio and Scemama, Anthony and Filippi, Claudia},
title = {{Excited states with selected CI-QMC: chemically accurate excitation energies and geometries}},
journal = {arXiv},
year = {2019},
month = {May},
eprint = {1905.06737},
url = {https://arxiv.org/abs/1905.06737}
@article{Burton_2019,
doi = {10.1021/acs.jctc.9b00441},
url = {https://doi.org/10.1021%2Facs.jctc.9b00441},
year = 2019,
month = {aug},
publisher = {American Chemical Society ({ACS})},
author = {Hugh G. A. Burton and Alex J.W. Thom},
title = {A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction},
journal = {Journal of Chemical Theory and Computation}
}
@article{Burton2019May,
author = {Burton, Hugh G. A. and Thom, Alex J. W.},
title = {{A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction}},
journal = {arXiv},
year = {2019},
month = {May},
eprint = {1905.02626},
url = {https://arxiv.org/abs/1905.02626}
@article{Dash_2019,
doi = {10.1021/acs.jctc.9b00476},
url = {https://doi.org/10.1021%2Facs.jctc.9b00476},
year = 2019,
month = {aug},
publisher = {American Chemical Society ({ACS})},
author = {Monika Dash and Jonas Feldt and Saverio Moroni and Anthony Scemama and Claudia Filippi},
title = {Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries},
journal = {Journal of Chemical Theory and Computation}
}
%%%% PUBLISHED PAPERS
@article{Caffarel_2019,
doi = {10.1063/1.5114703},
url = {https://doi.org/10.1063%2F1.5114703},
year = 2019,
month = {aug},
publisher = {{AIP} Publishing},
volume = {151},
number = {6},
pages = {064101},
author = {Michel Caffarel},
title = {Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals},
journal = {The Journal of Chemical Physics}
}
@article{Loos_2019,
doi = {10.1021/acs.jpclett.9b01176},
url = {https://doi.org/10.1021%2Facs.jpclett.9b01176},