mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-04 21:23:56 +01:00
183 lines
6.7 KiB
BibTeX
183 lines
6.7 KiB
BibTeX
@article{Bytautas_2009,
|
|
doi = {10.1016/j.chemphys.2008.11.021},
|
|
url = {https://doi.org/10.1016%2Fj.chemphys.2008.11.021},
|
|
year = 2009,
|
|
month = {feb},
|
|
publisher = {Elsevier {BV}},
|
|
volume = {356},
|
|
number = {1-3},
|
|
pages = {64--75},
|
|
author = {Laimutis Bytautas and Klaus Ruedenberg},
|
|
title = {A priori identification of configurational deadwood},
|
|
journal = {Chemical Physics}
|
|
}
|
|
|
|
@article{Anderson_2018,
|
|
doi = {10.1016/j.comptc.2018.08.017},
|
|
url = {https://doi.org/10.1016%2Fj.comptc.2018.08.017},
|
|
year = 2018,
|
|
month = {oct},
|
|
publisher = {Elsevier {BV}},
|
|
volume = {1142},
|
|
pages = {66--77},
|
|
author = {James S.M. Anderson and Farnaz Heidar-Zadeh and Paul W. Ayers},
|
|
title = {Breaking the curse of dimension for the electronic Schrodinger equation with functional analysis},
|
|
journal = {Computational and Theoretical Chemistry}
|
|
}
|
|
|
|
@article{Bender_1969,
|
|
doi = {10.1103/physrev.183.23},
|
|
url = {http://dx.doi.org/10.1103/PhysRev.183.23},
|
|
year = 1969,
|
|
month = {jul},
|
|
publisher = {American Physical Society ({APS})},
|
|
volume = {183},
|
|
number = {1},
|
|
pages = {23--30},
|
|
author = {Charles F. Bender and Ernest R. Davidson},
|
|
title = {Studies in Configuration Interaction: The First-Row Diatomic Hydrides},
|
|
journal = {Phys. Rev.}
|
|
}
|
|
|
|
@article{Whitten_1969,
|
|
doi = {10.1063/1.1671985},
|
|
url = {https://doi.org/10.1063%2F1.1671985},
|
|
year = 1969,
|
|
month = {dec},
|
|
publisher = {{AIP} Publishing},
|
|
volume = {51},
|
|
number = {12},
|
|
pages = {5584--5596},
|
|
author = {J. L. Whitten and Melvyn Hackmeyer},
|
|
title = {Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The {CI} Formulation and Studies of Formaldehyde},
|
|
journal = {The Journal of Chemical Physics}
|
|
}
|
|
|
|
@article{Huron_1973,
|
|
doi = {10.1063/1.1679199},
|
|
url = {https://doi.org/10.1063%2F1.1679199},
|
|
year = 1973,
|
|
month = {jun},
|
|
publisher = {{AIP} Publishing},
|
|
volume = {58},
|
|
number = {12},
|
|
pages = {5745--5759},
|
|
author = {B. Huron and J. P. Malrieu and P. Rancurel},
|
|
title = {Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions},
|
|
journal = {The Journal of Chemical Physics}
|
|
}
|
|
|
|
@article{Knowles_1984,
|
|
author="Peter J. Knowles and Nicholas C Handy",
|
|
year=1984,
|
|
journal={Chem. Phys. Letters},
|
|
volume=111,
|
|
pages="315--321",
|
|
title="A New Determinant-based Full Configuration Interaction Method"
|
|
}
|
|
|
|
|
|
@article{Scemama_2013,
|
|
author = {{Scemama}, A. and {Giner}, E.},
|
|
title = "{An efficient implementation of Slater-Condon rules}",
|
|
journal = {ArXiv [physics.comp-ph]},
|
|
pages = {1311.6244},
|
|
year = 2013,
|
|
month = nov,
|
|
url = {https://arxiv.org/abs/1311.6244}
|
|
}
|
|
|
|
@article{Sharma_2017,
|
|
doi = {10.1021/acs.jctc.6b01028},
|
|
url = {https://doi.org/10.1021%2Facs.jctc.6b01028},
|
|
year = 2017,
|
|
month = {mar},
|
|
publisher = {American Chemical Society ({ACS})},
|
|
volume = {13},
|
|
number = {4},
|
|
pages = {1595--1604},
|
|
author = {Sandeep Sharma and Adam A. Holmes and Guillaume Jeanmairet and Ali Alavi and C. J. Umrigar},
|
|
title = {Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory},
|
|
journal = {Journal of Chemical Theory and Computation}
|
|
}
|
|
|
|
@article{Holmes_2016,
|
|
doi = {10.1021/acs.jctc.6b00407},
|
|
url = {https://doi.org/10.1021%2Facs.jctc.6b00407},
|
|
year = 2016,
|
|
month = {aug},
|
|
publisher = {American Chemical Society ({ACS})},
|
|
volume = {12},
|
|
number = {8},
|
|
pages = {3674--3680},
|
|
author = {Adam A. Holmes and Norm M. Tubman and C. J. Umrigar},
|
|
title = {Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling},
|
|
journal = {Journal of Chemical Theory and Computation}
|
|
}
|
|
@article{Evangelisti_1983,
|
|
doi = {10.1016/0301-0104(83)85011-3},
|
|
url = {https://doi.org/10.1016%2F0301-0104%2883%2985011-3},
|
|
year = 1983,
|
|
month = {feb},
|
|
publisher = {Elsevier {BV}},
|
|
volume = {75},
|
|
number = {1},
|
|
pages = {91--102},
|
|
author = {Stefano Evangelisti and Jean-Pierre Daudey and Jean-Paul Malrieu},
|
|
title = {Convergence of an improved {CIPSI} algorithm},
|
|
journal = {Chemical Physics}
|
|
}
|
|
@article{Booth_2009,
|
|
doi = {10.1063/1.3193710},
|
|
url = {https://doi.org/10.1063%2F1.3193710},
|
|
year = 2009,
|
|
publisher = {{AIP} Publishing},
|
|
volume = {131},
|
|
number = {5},
|
|
pages = {054106},
|
|
author = {George H. Booth and Alex J. W. Thom and Ali Alavi},
|
|
title = {Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space},
|
|
journal = {The Journal of Chemical Physics}
|
|
}
|
|
@article{Booth_2010,
|
|
doi = {10.1063/1.3407895},
|
|
url = {https://doi.org/10.1063%2F1.3407895},
|
|
year = 2010,
|
|
month = {may},
|
|
publisher = {{AIP} Publishing},
|
|
volume = {132},
|
|
number = {17},
|
|
pages = {174104},
|
|
author = {George H. Booth and Ali Alavi},
|
|
title = {Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials},
|
|
journal = {The Journal of Chemical Physics}
|
|
}
|
|
@article{Cleland_2010,
|
|
doi = {10.1063/1.3302277},
|
|
url = {https://doi.org/10.1063%2F1.3302277},
|
|
year = 2010,
|
|
month = {jan},
|
|
publisher = {{AIP} Publishing},
|
|
volume = {132},
|
|
number = {4},
|
|
pages = {041103},
|
|
author = {Deidre Cleland and George H. Booth and Ali Alavi},
|
|
title = {Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo},
|
|
journal = {The Journal of Chemical Physics}
|
|
}
|
|
|
|
@article{Garniron_2017b,
|
|
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}
|
|
}
|
|
|