569 lines
21 KiB
BibTeX
569 lines
21 KiB
BibTeX
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@article{BenErn-PhysRev-1969,
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Author = {Charles F. Bender and Ernest R. Davidson},
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Doi = {10.1103/physrev.183.23},
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Journal = {Phys. Rev.},
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Month = {jul},
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Number = {1},
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Pages = {23--30},
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Publisher = {American Physical Society ({APS})},
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Title = {Studies in Configuration Interaction: The First-Row Diatomic Hydrides},
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Url = {http://dx.doi.org/10.1103/PhysRev.183.23},
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Volume = {183},
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Year = 1969,
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Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRev.183.23},
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Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrev.183.23}}
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@article{WhiHac-JCP-1969,
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Author = {J. L. Whitten and Melvyn Hackmeyer},
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Doi = {10.1063/1.1671985},
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Journal = {J. Chem. Phys.},
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Month = {dec},
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Number = {12},
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Pages = {5584--5596},
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Publisher = {{AIP} Publishing},
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Title = {Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The {CI} Formulation and Studies of Formaldehyde},
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Url = {https://doi.org/10.1063%2F1.1671985},
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Volume = {51},
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Year = 1969,
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Bdsk-Url-1 = {https://doi.org/10.1063%2F1.1671985},
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Bdsk-Url-2 = {https://doi.org/10.1063/1.1671985}}
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@article{HurMalRan-1973,
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Author = {B. Huron and J. P. Malrieu and P. Rancurel},
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Doi = {10.1063/1.1679199},
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Journal = {J. Chem. Phys.},
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Month = {jun},
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Number = {12},
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Pages = {5745--5759},
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Publisher = {{AIP} Publishing},
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Title = {Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions},
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Url = {https://doi.org/10.1063%2F1.1679199},
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Volume = {58},
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Year = 1973,
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Bdsk-Url-1 = {https://doi.org/10.1063%2F1.1679199},
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Bdsk-Url-2 = {https://doi.org/10.1063/1.1679199}}
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@article{ShBuPeyChemPhys78,
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Author = {Shih, Sk and Butscher, W ans Buenker, Rj and Peyerimhoff, Sd},
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Doi = {{10.1016/0301-0104(78)85076-9}},
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Issn = {{0301-0104}},
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Journal = {{Chemical Physics}},
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Journal-Iso = {{Chem. Phys.}},
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Number = {{1-2}},
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Number-Of-Cited-References = {{37}},
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Pages = {{241-252}},
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Publisher = {{Elsevier Science Bv}},
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Title = {{Calculation of vertical electronic-spectrum of nitrogen molecule using mrd-ci method}},
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Type = {{aRTICLE}},
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Volume = {{29}},
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Year = {{1978}},
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Bdsk-Url-1 = {https://doi.org/10.1016/0301-0104(78)85076-9%7D}}
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@article{BuePeyButMolPhys78,
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Author = {Buenker, Rj and Peyerimhoff, Sd and Butscher, W},
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Doi = {{10.1080/00268977800100581}},
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Issn = {{0026-8976}},
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Journal = {{Molecular Physics}},
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Journal-Iso = {{Mol. Phys.}},
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Number = {{3}},
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Pages = {{771-791}},
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Publisher = {{TAYLOR \& FRANCIS LTD}},
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Title = {{ Applicability of multi-reference double-excitation ci (mrd-ci) method to calculation of electronic wavefunctions and comparison with related techniques}},
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Volume = {{35}},
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Year = {{1978}},
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Bdsk-Url-1 = {https://doi.org/10.1080/00268977800100581%7D}}
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@article{EvaDauMal-ChemPhys-83,
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Author = {Stefano Evangelisti and Jean-Pierre Daudey and Jean-Paul Malrieu},
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Doi = {10.1016/0301-0104(83)85011-3},
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Journal = {Chemical Physics},
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Month = {feb},
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Number = {1},
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Pages = {91--102},
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Publisher = {Elsevier {BV}},
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Title = {Convergence of an improved {CIPSI} algorithm},
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Url = {https://doi.org/10.1016%2F0301-0104%2883%2985011-3},
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Volume = {75},
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Year = 1983,
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Bdsk-Url-1 = {https://doi.org/10.1016%2F0301-0104%2883%2985011-3},
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Bdsk-Url-2 = {https://doi.org/10.1016/0301-0104(83)85011-3}}
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@article{Cim-JCP-1985,
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Author = {Cimiraglia, Renzo},
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Date-Added = {2018-12-01 13:44:03 +0100},
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Date-Modified = {2018-12-01 13:44:03 +0100},
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Doi = {10.1063/1.449362},
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File = {1%2E449362.pdf:/home/scemama/Dropbox/Zotero/storage/52SWQQR4/1%2E449362.pdf:application/pdf;1.449362.pdf:/home/scemama/Dropbox/Zotero/storage/E6WCUH8T/1.449362.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/HLPRZTEI/1.html:text/html},
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Issn = {0021-9606, 1089-7690},
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Journal = {J. Chem. Phys.},
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Language = {en},
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Month = aug,
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Number = {4},
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Pages = {1746--1749},
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Shorttitle = {Second order perturbation correction to {CI} energies by use of diagrammatic techniques},
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Title = {Second order perturbation correction to {CI} energies by use of diagrammatic techniques: {An} improvement to the {CIPSI} algorithm},
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Url = {http://aip.scitation.org/doi/10.1063/1.449362},
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Urldate = {2017-11-14},
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Volume = {83},
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Year = {1985},
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Bdsk-Url-1 = {http://aip.scitation.org/doi/10.1063/1.449362},
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Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.449362}}
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@article{Cim-JCC-1987,
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Author = {Cimiraglia, Renzo and Persico, Maurizio},
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Date-Added = {2018-12-01 13:44:08 +0100},
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Date-Modified = {2018-12-01 13:44:08 +0100},
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File = {28a1e2d5fd9eba4d0cba5227b6acd8463ff941ffaa24949d1437dfca2bc8f3c7.pdf:/home/scemama/Dropbox/Zotero/storage/4L9PPHEJ/28a1e2d5fd9eba4d0cba5227b6acd8463ff941ffaa24949d1437dfca2bc8f3c7.pdf:application/pdf;540080105_ftp.pdf:/home/scemama/Dropbox/Zotero/storage/MZIFQQ9W/540080105_ftp.pdf:application/pdf},
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Journal = {J. Comput. Chem.},
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Number = {1},
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Pages = {39--47},
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Shorttitle = {Recent advances in multireference second order perturbation {CI}},
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Title = {Recent advances in multireference second order perturbation {CI}: {The} {CIPSI} method revisited},
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Volume = {8},
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Year = {1987}}
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@article{IllRubRic-JCP-88,
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Author = {Illas, F. and Rubio, J. and Ricart, J. M.},
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Date-Added = {2018-12-01 13:44:13 +0100},
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Date-Modified = {2018-12-01 13:44:13 +0100},
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Doi = {10.1063/1.455405},
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File = {1.455405.pdf:/home/scemama/Dropbox/Zotero/storage/DYD93IM9/1.455405.pdf:application/pdf},
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Issn = {0021-9606, 1089-7690},
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Journal = {J. Chem. Phys.},
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Language = {en},
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Month = nov,
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Number = {10},
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Pages = {6376--6384},
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Title = {Approximate natural orbitals and the convergence of a second order multireference many-body perturbation theory ({CIPSI}) algorithm},
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Url = {http://aip.scitation.org/doi/10.1063/1.455405},
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Urldate = {2017-11-14},
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Volume = {89},
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Year = {1988},
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Bdsk-Url-1 = {http://aip.scitation.org/doi/10.1063/1.455405},
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Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455405}}
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@article{PovRubIll-TCA-92,
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Author = {Povill, A. and Rubio, J. and Illas, F.},
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Date-Added = {2018-12-01 13:44:18 +0100},
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Date-Modified = {2018-12-01 13:44:18 +0100},
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Doi = {10.1007/BF01113255},
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File = {BF01113255.pdf:/home/scemama/Dropbox/Zotero/storage/TH3IVJUP/BF01113255.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/M8KP3TSQ/BF01113255.html:text/html},
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Journal = {Theor. Chem. Acc.},
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Number = {3},
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Pages = {229--238},
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Title = {Treating large intermediate spaces in the {CIPSI} method through a direct selected {CI} algorithm},
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Volume = {82},
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Year = {1992},
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Bdsk-Url-1 = {https://doi.org/10.1007/BF01113255}}
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@article{BunCarRam-JCP-06,
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Author = {Bunge, Carlos F. and Carb{\'o}-Dorca, Ramon},
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Date-Added = {2018-12-01 13:44:28 +0100},
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Date-Modified = {2018-12-01 13:44:28 +0100},
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Doi = {10.1063/1.2207621},
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File = {Snapshot:/home/scemama/Dropbox/Zotero/storage/SB8DJGT3/1.html:text/html},
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Issn = {0021-9606},
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Journal = {J. Chem. Phys.},
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Month = jul,
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Number = {1},
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Pages = {014108},
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Title = {Select-divide-and-conquer method for large-scale configuration interaction},
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Url = {http://aip.scitation.org/doi/abs/10.1063/1.2207621},
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Urldate = {2017-11-17},
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Volume = {125},
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Year = {2006},
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Bdsk-Url-1 = {http://aip.scitation.org/doi/abs/10.1063/1.2207621},
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Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2207621}}
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@article{AbrSheDav-CPL-05,
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Author = {Abrams, Micah L. and Sherrill, C. David},
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Date-Added = {2018-12-01 13:44:23 +0100},
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Date-Modified = {2018-12-01 13:44:23 +0100},
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Doi = {10.1016/j.cplett.2005.06.107},
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Issn = {0009-2614},
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Journal = {Chem. Phys. Lett.},
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Month = {Aug},
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Number = {1-3},
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Pages = {121--124},
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Publisher = {Elsevier BV},
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Title = {Important configurations in configuration interaction and coupled-cluster wave functions},
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Url = {http://dx.doi.org/10.1016/j.cplett.2005.06.107},
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Volume = {412},
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Year = {2005},
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Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.cplett.2005.06.107}}
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@article{MusEngels-JCC-06,
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Author = {Musch, Patrick and Engels, Bernd},
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Journal = {{Journal of Computational Chemistry}},
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Number = {{10}},
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Year = {{2006}}
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}
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@article{BytRue-CP-09,
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Author = {Laimutis Bytautas and Klaus Ruedenberg},
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Doi = {10.1016/j.chemphys.2008.11.021},
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Journal = {Chemical Physics},
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Month = {feb},
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Number = {1-3},
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Pages = {64--75},
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Publisher = {Elsevier {BV}},
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Title = {A priori identification of configurational deadwood},
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Url = {https://doi.org/10.1016%2Fj.chemphys.2008.11.021},
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Volume = {356},
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Year = 2009,
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Bdsk-Url-1 = {https://doi.org/10.1016%2Fj.chemphys.2008.11.021},
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Bdsk-Url-2 = {https://doi.org/10.1016/j.chemphys.2008.11.021}}
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@article{GinSceCaf-CJC-13,
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Author = {Giner, Emmanuel and Scemama, Anthony and Caffarel, Michel},
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Date-Added = {2018-11-29 14:22:53 +0100},
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Date-Modified = {2018-11-29 14:22:53 +0100},
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Doi = {10.1139/cjc-2013-0017},
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Issn = {1480-3291},
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Journal = {Can. J. Chem.},
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Month = {Sep},
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Number = {9},
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Pages = {879--885},
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Publisher = {Canadian Science Publishing},
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Title = {Using perturbatively selected configuration interaction in quantum Monte Carlo calculations},
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Url = {http://dx.doi.org/10.1139/cjc-2013-0017},
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Volume = {91},
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Year = {2013},
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Bdsk-Url-1 = {http://dx.doi.org/10.1139/cjc-2013-0017}}
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@article{CafGinScemRam-JCTC-14,
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Author = {Caffarel, Michel and Giner, Emmanuel and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
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Date-Added = {2018-11-29 14:22:40 +0100},
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Date-Modified = {2018-11-29 14:22:40 +0100},
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Doi = {10.1021/ct5004252},
|
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Issn = {1549-9626},
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Journal = {J. Chem. Theory Comput.},
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Month = {Dec},
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Number = {12},
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Pages = {5286--5296},
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Publisher = {American Chemical Society (ACS)},
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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 CuCl$_2$ Molecule},
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Url = {http://dx.doi.org/10.1021/ct5004252},
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Volume = {10},
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Year = {2014},
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Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct5004252}}
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@article{GinSceCaf-JCP-15,
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Author = {Emmanuel Giner and Anthony Scemama and Michel Caffarel},
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Date-Added = {2018-11-29 14:22:53 +0100},
|
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Date-Modified = {2018-11-29 14:22:53 +0100},
|
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Doi = {10.1063/1.4905528},
|
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Issn = {1089-7690},
|
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Journal = {J. Chem. Phys.},
|
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Month = {Jan},
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Number = {4},
|
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Pages = {044115},
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Publisher = {AIP Publishing},
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Title = {Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F$_2$ using selected configuration interaction trial wavefunctions},
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Url = {http://dx.doi.org/10.1063/1.4905528},
|
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Volume = {142},
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Year = {2015},
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Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4905528}}
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@article{CafAplGinScem-arxiv-16,
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Author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
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Date-Added = {2019-02-14 10:41:06 +0100},
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Date-Modified = {2019-02-14 10:41:23 +0100},
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Doi = {10.1021/bk-2016-1234.ch002},
|
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Eprint = {arXiv:1607.06742},
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Title = {Using CIPSI nodes in diffusion Monte Carlo},
|
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Year = {2016},
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Bdsk-Url-1 = {https://dx.doi.org/10.1021/bk-2016-1234.ch002}}
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@article{CafAplGinSce-JCP-16,
|
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Author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
|
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Date-Modified = {2019-02-14 10:41:27 +0100},
|
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Doi = {10.1063/1.4947093},
|
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Journal = {J. Chem. Phys.},
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Month = {apr},
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Number = {15},
|
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Pages = {151103},
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Publisher = {{AIP} Publishing},
|
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Title = {Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule},
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Url = {https://doi.org/10.1063%2F1.4947093},
|
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Volume = {144},
|
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Year = 2016,
|
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Bdsk-Url-1 = {https://doi.org/10.1063%2F1.4947093},
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Bdsk-Url-2 = {https://doi.org/10.1063/1.4947093}}
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@article{SchEva-JCP-16,
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Author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
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Date-Added = {2018-12-01 13:44:38 +0100},
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Date-Modified = {2018-12-01 13:44:38 +0100},
|
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Doi = {10.1063/1.4948308},
|
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File = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/XR99ZTDH/Schriber and Evangelista - 2016 - Communication An adaptive configuration interacti.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/6KITP3BL/1.html:text/html},
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Issn = {0021-9606},
|
|
Journal = {J. Chem. Phys.},
|
|
Month = apr,
|
|
Number = {16},
|
|
Pages = {161106},
|
|
Shorttitle = {Communication},
|
|
Title = {Communication: {An} adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy},
|
|
Url = {http://aip.scitation.org/doi/abs/10.1063/1.4948308},
|
|
Urldate = {2017-11-17},
|
|
Volume = {144},
|
|
Year = {2016},
|
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Bdsk-Url-1 = {http://aip.scitation.org/doi/abs/10.1063/1.4948308},
|
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Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4948308}}
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@article{LiuHofJCTC-16,
|
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Author = {Wenjian Liu and Mark R. Hoffmann},
|
|
Doi = {10.1021/acs.jctc.5b01099},
|
|
Journal = {J. Chem. Theory Comput.},
|
|
Month = {jan},
|
|
Number = {3},
|
|
Pages = {1169--1178},
|
|
Publisher = {American Chemical Society ({ACS})},
|
|
Title = {{iCI}: Iterative {CI} toward full {CI}},
|
|
Url = {https://doi.org/10.1021%2Facs.jctc.5b01099},
|
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Volume = {12},
|
|
Year = 2016,
|
|
Bdsk-Url-1 = {https://doi.org/10.1021%2Facs.jctc.5b01099},
|
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Bdsk-Url-2 = {https://doi.org/10.1021/acs.jctc.5b01099}}
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@article{HolUmrSha-JCP-17,
|
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Author = {Holmes, Adam A. and Umrigar, C. J. and Sharma, Sandeep},
|
|
Date-Added = {2018-12-01 13:35:29 +0100},
|
|
Date-Modified = {2018-12-01 13:35:29 +0100},
|
|
Doi = {10.1063/1.4998614},
|
|
Issn = {1089-7690},
|
|
Journal = {J. Chem. Phys.},
|
|
Month = {Oct},
|
|
Number = {16},
|
|
Pages = {164111},
|
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Publisher = {AIP Publishing},
|
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Title = {Excited states using semistochastic heat-bath configuration interaction},
|
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Url = {http://dx.doi.org/10.1063/1.4998614},
|
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Volume = {147},
|
|
Year = {2017},
|
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Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4998614}}
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@article{ShaHolJeaAlaUmr-JCTC-17,
|
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Author = {Sharma, Sandeep and Holmes, Adam A. and Jeanmairet, Guillaume and Alavi, Ali and Umrigar, C. J.},
|
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Date-Added = {2018-12-01 13:35:29 +0100},
|
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Date-Modified = {2018-12-01 13:35:29 +0100},
|
|
Doi = {10.1021/acs.jctc.6b01028},
|
|
Issn = {1549-9626},
|
|
Journal = {J. Chem. Theory Comput.},
|
|
Month = {Mar},
|
|
Number = {4},
|
|
Pages = {1595--1604},
|
|
Publisher = {American Chemical Society (ACS)},
|
|
Title = {Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory},
|
|
Url = {http://dx.doi.org/10.1021/acs.jctc.6b01028},
|
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Volume = {13},
|
|
Year = {2017},
|
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Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b01028}}
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@article{HolUmrSha-JCP-17,
|
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Author = {Holmes, Adam A. and Umrigar, C. J. and Sharma, Sandeep},
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Date-Added = {2018-12-01 13:35:29 +0100},
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Date-Modified = {2018-12-01 13:35:29 +0100},
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Doi = {10.1063/1.4998614},
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Issn = {1089-7690},
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Journal = {J. Chem. Phys.},
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Month = {Oct},
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Number = {16},
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Pages = {164111},
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Publisher = {AIP Publishing},
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Title = {Excited states using semistochastic heat-bath configuration interaction},
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Url = {http://dx.doi.org/10.1063/1.4998614},
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Volume = {147},
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Year = {2017},
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Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4998614}}
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@article{SchEva-JCTC-17,
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Author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
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Date-Modified = {2018-12-01 13:45:15 +0100},
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Doi = {10.1021/acs.jctc.7b00725},
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Journal = {J. Chem. Theory Comput.},
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Month = {Oct},
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Publisher = {American Chemical Society},
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Title = {{Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy}},
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Year = {2017},
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00725}}
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@article{PerCle-JCP-17,
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Author = {Per, Manolo C. and Cleland, Deidre M.},
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Date-Added = {2018-12-01 13:44:59 +0100},
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Date-Modified = {2018-12-01 13:44:59 +0100},
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Doi = {10.1063/1.4981527},
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Issn = {1089-7690},
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Journal = {J. Chem. Phys.},
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Month = {Apr},
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Number = {16},
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Pages = {164101},
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Publisher = {AIP Publishing},
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Title = {Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo},
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Url = {http://dx.doi.org/10.1063/1.4981527},
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Volume = {146},
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Year = {2017},
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Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4981527}}
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@article{OhtJun-JCP-17,
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Author = {Yuhki Ohtsuka and Jun-ya Hasegawa},
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Doi = {10.1063/1.4993214},
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Journal = {J. Chem. Phys.},
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Month = {jul},
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Number = {3},
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Pages = {034102},
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Publisher = {{AIP} Publishing},
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Title = {Selected configuration interaction method using sampled first-order corrections to wave functions},
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Url = {https://doi.org/10.1063%2F1.4993214},
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Volume = {147},
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Year = 2017,
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Bdsk-Url-1 = {https://doi.org/10.1063%2F1.4993214},
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Bdsk-Url-2 = {https://doi.org/10.1063/1.4993214}}
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@article{Zim-JCP-17,
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Author = {Zimmerman, Paul M.},
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Date-Added = {2018-12-01 13:45:04 +0100},
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Date-Modified = {2018-12-01 13:45:04 +0100},
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Doi = {10.1063/1.4977727},
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Issn = {1089-7690},
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Journal = {J. Chem. Phys.},
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Month = {Mar},
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Number = {10},
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Pages = {104102},
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Publisher = {AIP Publishing},
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Title = {Incremental full configuration interaction},
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Url = {http://dx.doi.org/10.1063/1.4977727},
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Volume = {146},
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Year = {2017},
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Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4977727}}
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@article{LiOttHolShaUmr-JCP-2018,
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Author = {J. Li and M. Otten and A. A. Holmes and S. Sharma and C. J. Umrigar},
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Date-Added = {2019-02-13 09:25:07 +0100},
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Date-Modified = {2019-02-13 09:26:03 +0100},
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Doi = {10.1063/1.5055390},
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Journal = {J. Chem. Phys.},
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Pages = {214110},
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Title = {Fast semistochastic heat-bath configuration interaction},
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Volume = {149},
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Year = {2018},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.5055390}}
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@article{ChiHolOttUmrShaZim-JPCA-18,
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Author = {Chien, Alan D. and Holmes, Adam A. and Otten, Matthew and Umrigar, C. J. and Sharma, Sandeep and Zimmerman, Paul M.},
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Date-Added = {2018-12-01 13:35:29 +0100},
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Date-Modified = {2018-12-01 13:35:29 +0100},
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Doi = {10.1021/acs.jpca.8b01554},
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File = {/Users/loos/Zotero/storage/J96RZ7JP/Chien et al. - 2018 - Excited States of Methylene, Polyenes, and Ozone f.pdf},
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Issn = {1089-5639, 1520-5215},
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Journal = {J. Phys. Chem. A},
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Language = {en},
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Month = mar,
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Number = {10},
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Pages = {2714--2722},
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Title = {Excited {{States}} of {{Methylene}}, {{Polyenes}}, and {{Ozone}} from {{Heat}}-{{Bath Configuration Interaction}}},
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Volume = {122},
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Year = {2018},
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpca.8b01554}}
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@article{SceBenJacCafLoo-JCP-18,
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Author = {Anthony Scemama and Anouar Benali and Denis Jacquemin and Michel Caffarel and Pierre-Fran{\c{c}}ois Loos},
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Date-Modified = {2018-11-29 13:30:28 +0100},
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Doi = {10.1063/1.5041327},
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Journal = {J. Chem. Phys.},
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Month = {jul},
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Number = {3},
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Pages = {034108},
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Publisher = {{AIP} Publishing},
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Title = {Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes},
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Url = {https://doi.org/10.1063%2F1.5041327},
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Volume = {149},
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Year = 2018,
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Bdsk-Url-1 = {https://doi.org/10.1063%2F1.5041327},
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Bdsk-Url-2 = {https://doi.org/10.1063/1.5041327}}
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@article{LooSceBloGarCafJac-JCTC-18,
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Author = {Pierre-Fran{\c{c}}ois Loos and Anthony Scemama and Aymeric Blondel and Yann Garniron and Michel Caffarel and Denis Jacquemin},
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Date-Modified = {2019-02-05 11:23:26 +0100},
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Doi = {10.1021/acs.jctc.8b00406},
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Journal = {J. Chem. Theory Comput.},
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Month = {jul},
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Number = {8},
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Pages = {4360--4379},
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Publisher = {American Chemical Society ({ACS})},
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Title = {A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks},
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Url = {https://doi.org/10.1021%2Facs.jctc.8b00406},
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Volume = {14},
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Year = 2018,
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Bdsk-Url-1 = {https://doi.org/10.1021%2Facs.jctc.8b00406},
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Bdsk-Url-2 = {https://doi.org/10.1021/acs.jctc.8b00406}}
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@article{GarSceGinCaffLoo-JCP-18,
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Author = {Y. Garniron and A. Scemama and E. Giner and M. Caffarel and P. F. Loos},
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Date-Added = {2018-11-29 14:23:11 +0100},
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Date-Modified = {2018-11-29 14:23:11 +0100},
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Doi = {10.1063/1.5044503},
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Journal = {J. Chem. Phys.},
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Pages = {064103},
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Title = {Selected Configuration Interaction Dressed by Perturbation},
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Volume = {149},
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Year = {2018},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.5044503}}
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@article{SceGarCafLoo-JCTC-18,
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Author = {A. Scemama and Y. Garniron and M. Caffarel and P. F. Loos},
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Date-Added = {2018-11-29 13:30:19 +0100},
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Date-Modified = {2018-11-29 13:30:23 +0100},
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Doi = {10.1021/acs.jctc.7b01250},
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Journal = {J. Chem. Theory Comput.},
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Pages = {1395},
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Title = {Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS},
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Volume = {14},
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Year = {2018},
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b01250}}
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@article{GarGinMalSce-JCP-16,
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Author = {Yann Garniron and Emmanuel Giner and Jean-Paul Malrieu and Anthony Scemama},
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Doi = {10.1063/1.4980034},
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Journal = {J. Chem. Phys.},
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Month = {apr},
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Number = {15},
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Pages = {154107},
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Publisher = {{AIP} Publishing},
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Title = {Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster},
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Url = {https://doi.org/10.1063%2F1.4980034},
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Volume = {146},
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Year = 2017,
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Bdsk-Url-1 = {https://doi.org/10.1063%2F1.4980034},
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Bdsk-Url-2 = {https://doi.org/10.1063/1.4980034}}
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@article{LooBogSceCafJac-JCTC-19,
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Author = {P. F. Loos and M. Boggio-Pasqua and A. Scemama and M. Caffarel and D. Jacquemin},
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Date-Added = {2019-02-05 09:37:37 +0100},
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Date-Modified = {2019-02-05 09:37:37 +0100},
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Doi = {10.1021/acs.jctc.8b01205},
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Journal = {J. Chem. Theory Comput.},
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Pages = {in press},
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Title = {Reference energies for double excitations},
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Volume = {15},
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Year = {2019},
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01205}}
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