quantum_package/docs/source/research.bib

@article{Loos_2018,
	doi = {10.1021/acs.jctc.8b00406},
	url = {https://doi.org/10.1021%2Facs.jctc.8b00406},
	year = 2018,
	month = {jul},
	publisher = {American Chemical Society ({ACS})},
	volume = {14},
	number = {8},
	pages = {4360--4379},
	author = {Pierre-Fran{\c{c}}ois Loos and Anthony Scemama and Aymeric Blondel and Yann Garniron and Michel Caffarel and Denis Jacquemin},
	title = {A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks},
	journal = {Journal of Chemical Theory and Computation}
}
@article{Scemama_2018,
	doi = {10.1021/acs.jctc.7b01250},
	url = {https://doi.org/10.1021%2Facs.jctc.7b01250},
	year = 2018,
	month = {jan},
	publisher = {American Chemical Society ({ACS})},
	volume = {14},
	number = {3},
	pages = {1395--1402},
	author = {Anthony Scemama and Yann Garniron and Michel Caffarel and Pierre-Fran{\c{c}}ois Loos},
	title = {Deterministic Construction of Nodal Surfaces within Quantum Monte Carlo: The Case of {FeS}},
	journal = {Journal of Chemical Theory and Computation}
}
@article{Scemama_2018.2,
	doi = {10.1063/1.5041327},
	url = {https://doi.org/10.1063%2F1.5041327},
	year = 2018,
	month = {jul},
	publisher = {{AIP} Publishing},
	volume = {149},
	number = {3},
	pages = {034108},
	author = {Anthony Scemama and Anouar Benali and Denis Jacquemin and Michel Caffarel and Pierre-Fran{\c{c}}ois Loos},
	title = {Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes},
	journal = {The Journal of Chemical Physics}
}
@article{Dash_2018,
	doi = {10.1021/acs.jctc.8b00393},
	url = {https://doi.org/10.1021%2Facs.jctc.8b00393},
	year = 2018,
	month = {jun},
	publisher = {American Chemical Society ({ACS})},
	volume = {14},
	number = {8},
	pages = {4176--4182},
	author = {Monika Dash and Saverio Moroni and Anthony Scemama and Claudia Filippi},
	title = {Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo},
	journal = {Journal of Chemical Theory and Computation}
}
@article{Garniron_2018,
	doi = {10.1063/1.5044503},
	url = {https://doi.org/10.1063%2F1.5044503},
	year = 2018,
	month = {aug},
	publisher = {{AIP} Publishing},
	volume = {149},
	number = {6},
	pages = {064103},
	author = {Yann Garniron and Anthony Scemama and Emmanuel Giner and Michel Caffarel and Pierre-Fran{\c{c}}ois Loos},
	title = {Selected configuration interaction dressed by perturbation},
	journal = {The Journal of Chemical Physics}
}
@article{Giner_2017,
	doi = {10.1063/1.4984616},
	url = {https://doi.org/10.1063%2F1.4984616},
	year = 2017,
	month = {jun},
	publisher = {{AIP} Publishing},
	volume = {146},
	number = {22},
	pages = {224108},
	author = {Emmanuel Giner and Celestino Angeli and Yann Garniron and Anthony Scemama and Jean-Paul Malrieu},
	title = {A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves},
	journal = {The Journal of Chemical Physics}
}
@article{Garniron_2017,
	doi = {10.1063/1.4980034},
	url = {https://doi.org/10.1063%2F1.4980034},
	year = 2017,
	month = {apr},
	publisher = {{AIP} Publishing},
	volume = {146},
	number = {15},
	pages = {154107},
	author = {Yann Garniron and Emmanuel Giner and Jean-Paul Malrieu and Anthony Scemama},
	title = {Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster},
	journal = {The Journal of Chemical Physics}
}
@article{Garniron_2017.2,
	doi = {10.1063/1.4992127},
	url = {https://doi.org/10.1063%2F1.4992127},
	year = 2017,
	month = {jul},
	publisher = {{AIP} Publishing},
	volume = {147},
	number = {3},
	pages = {034101},
	author = {Yann Garniron and Anthony Scemama and Pierre-Fran{\c{c}}ois Loos and Michel Caffarel},
	title = {Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory},
	journal = {The Journal of Chemical Physics}
}
@article{Giner_2017.2,
	doi = {10.1016/j.comptc.2017.03.001},
	url = {https://doi.org/10.1016%2Fj.comptc.2017.03.001},
	year = 2017,
	month = {sep},
	publisher = {Elsevier {BV}},
	volume = {1116},
	pages = {134--140},
	author = {E. Giner and C. Angeli and A. Scemama and J.-P. Malrieu},
	title = {Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects},
	journal = {Computational and Theoretical Chemistry}
}
@article{Giner_2016,
	doi = {10.1063/1.4940781},
	url = {https://doi.org/10.1063%2F1.4940781},
	year = 2016,
	month = {feb},
	publisher = {{AIP} Publishing},
	volume = {144},
	number = {6},
	pages = {064101},
	author = {E. Giner and G. David and A. Scemama and J. P. Malrieu},
	title = {A simple approach to the state-specific {MR}-{CC} using the intermediate Hamiltonian formalism},
	journal = {The Journal of Chemical Physics}
}
@article{Caffarel_2016,
	doi = {10.1063/1.4947093},
	url = {https://doi.org/10.1063%2F1.4947093},
	year = 2016,
	month = {apr},
	publisher = {{AIP} Publishing},
	volume = {144},
	number = {15},
	pages = {151103},
	author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
	title = {Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule},
	journal = {The Journal of Chemical Physics}
}
@incollection{Caffarel_2016.2,
	doi = {10.1021/bk-2016-1234.ch002},
	url = {https://doi.org/10.1021%2Fbk-2016-1234.ch002},
	year = 2016,
	month = {jan},
	publisher = {American Chemical Society},
	pages = {15--46},
	author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
	title = {Using CIPSI Nodes in Diffusion Monte Carlo},
	booktitle = {{ACS} Symposium Series}
}
@article{Giner_2015,
	doi = {10.1063/1.4905528},
	url = {https://doi.org/10.1063%2F1.4905528},
	year = 2015,
	month = {jan},
	publisher = {{AIP} Publishing},
	volume = {142},
	number = {4},
	pages = {044115},
	author = {Emmanuel Giner and Anthony Scemama and Michel Caffarel},
	title = {Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions},
	journal = {The Journal of Chemical Physics}
}
@article{Scemama_2014,
	doi = {10.1063/1.4903985},
	url = {https://doi.org/10.1063%2F1.4903985},
	year = 2014,
	month = {dec},
	publisher = {{AIP} Publishing},
	volume = {141},
	number = {24},
	pages = {244110},
	author = {A. Scemama and T. Applencourt and E. Giner and M. Caffarel},
	title = {Accurate nonrelativistic ground-state energies of 3d transition metal atoms},
	journal = {The Journal of Chemical Physics}
}
@article{Caffarel_2014,
	doi = {10.1021/ct5004252},
	url = {https://doi.org/10.1021%2Fct5004252},
	year = 2014,
	month = {nov},
	publisher = {American Chemical Society ({ACS})},
	volume = {10},
	number = {12},
	pages = {5286--5296},
	author = {Michel Caffarel and Emmanuel Giner and Anthony Scemama and Alejandro Ram{\'{\i}}rez-Sol{\'{\i}}s},
	title = {Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree-Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2 Molecule},
	journal = {Journal of Chemical Theory and Computation}
}
@article{Giner_2013,
	doi = {10.1139/cjc-2013-0017},
	url = {https://doi.org/10.1139%2Fcjc-2013-0017},
	year = 2013,
	month = {sep},
	publisher = {Canadian Science Publishing},
	volume = {91},
	number = {9},
	pages = {879--885},
	author = {Emmanuel Giner and Anthony Scemama and Michel Caffarel},
	title = {Using perturbatively selected configuration interaction in quantum Monte Carlo calculations},
	journal = {Canadian Journal of Chemistry}
}

@article{Scemama2013Nov,
        author = {Scemama, Anthony and Giner, Emmanuel},
        title = {{An efficient implementation of Slater-Condon rules}},
        journal = {arXiv},
        year = {2013},
        month = {Nov},
        eprint = {1311.6244},
        url = {https://arxiv.org/abs/1311.6244}
}