{"id":100,"date":"2013-11-20T17:10:56","date_gmt":"2013-11-20T17:10:56","guid":{"rendered":"https:\/\/vallico.net\/casinoqmc\/?page_id=100"},"modified":"2026-10-27T02:40:41","modified_gmt":"2026-10-27T02:40:41","slug":"how-to-cite","status":"publish","type":"page","link":"https:\/\/vallico.net\/casinoqmc\/how-to-cite\/","title":{"rendered":"How to cite"},"content":{"rendered":"<p>A publication of results obtained with CASINO cites, in full:<\/p>\n<p style=\"margin-left:2em\">R. J. Needs, M. D. Towler, N. D. Drummond, P. L&oacute;pez R&iacute;os and J. R. Trail, <em>Variational and diffusion quantum Monte Carlo calculations with the CASINO code<\/em>, J. Chem. Phys. <b>152<\/b>, 154106 (2020). <a href=\"https:\/\/doi.org\/10.1063\/1.5144288\">doi:10.1063\/1.5144288<\/a><\/p>\n<p>A publication that describes or discusses one of the methods or algorithms that CASINO uses cites the papers on it below. Where a topic has more than one reference and one of them describes the algorithm as CASINO implements it, that one is marked with an asterisk; the others give further information. The pseudopotentials of the <a href=\"https:\/\/vallico.net\/casinoqmc\/pplib\/\">CASINO pseudopotential library<\/a> have citations of their own, given on its page.<\/p>\n<p>The authors also keep a list of published work that reports results obtained with CASINO, and ask to be sent a copy of each such publication so that it can be added.<\/p>\n<h3>Methods and algorithms<\/h3>\n<dl>\n<dt>The Metropolis algorithm<\/dt>\n<dd>N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller and E. Teller, J. Chem. Phys. <b>21<\/b>, 1087 (1953).<\/dd>\n<dt>The first variational Monte Carlo calculation<\/dt>\n<dd>W. L. McMillan, Phys. Rev. <b>138<\/b>, A442 (1965).<\/dd>\n<dt>The fixed-node approximation<\/dt>\n<dd>J. B. Anderson, J. Chem. Phys. <b>63<\/b>, 1499 (1975); J. Chem. Phys. <b>65<\/b>, 4121 (1976).<\/dd>\n<dt>The first application of importance-sampled diffusion Monte Carlo<\/dt>\n<dd>D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. <b>45<\/b>, 566 (1980).<\/dd>\n<dt>Review of variational and diffusion Monte Carlo<\/dt>\n<dd>W. M. C. Foulkes, L. Mitas, R. J. Needs and G. Rajagopal, Rev. Mod. Phys. <b>73<\/b>, 33 (2001).<\/dd>\n<dt>CASINO&rsquo;s diffusion Monte Carlo algorithm, and its modifications of the Green&rsquo;s function<\/dt>\n<dd>C. J. Umrigar, M. P. Nightingale and K. J. Runge, J. Chem. Phys. <b>99<\/b>, 2865 (1993).<\/dd>\n<dt>Reptation Monte Carlo<\/dt>\n<dd>S. Baroni and S. Moroni, Phys. Rev. Lett. <b>82<\/b>, 4745 (1999).<\/dd>\n<dt>CASINO&rsquo;s Jastrow factor<\/dt>\n<dd>N. D. Drummond, M. D. Towler and R. J. Needs, Phys. Rev. B <b>70<\/b>, 235119 (2004).<\/dd>\n<dt>CASINO&rsquo;s backflow transformation<\/dt>\n<dd>P. L&oacute;pez R&iacute;os, A. Ma, N. D. Drummond, M. D. Towler and R. J. Needs, Phys. Rev. E <b>74<\/b>, 066701 (2006).<\/dd>\n<dt>Cusp corrections for Gaussian orbitals, and the general-purpose cusp correction<\/dt>\n<dd>A. Ma, M. D. Towler, N. D. Drummond and R. J. Needs, J. Chem. Phys. <b>122<\/b>, 224322 (2005).<\/dd>\n<dt>Variance minimisation<\/dt>\n<dd>C. J. Umrigar, K. G. Wilson and J. W. Wilkins, Phys. Rev. Lett. <b>60<\/b>, 1719 (1988).<\/dd>\n<dt>Unreweighted variance minimisation for linear Jastrow parameters<\/dt>\n<dd>N. D. Drummond and R. J. Needs, Phys. Rev. B <b>72<\/b>, 085124 (2005).<\/dd>\n<dt>Energy minimisation<\/dt>\n<dd>C. J. Umrigar, J. Toulouse, C. Filippi, S. Sorella and R. G. Hennig, Phys. Rev. Lett. <b>98<\/b>, 110201 (2007).<\/dd>\n<dt>Twisted boundary conditions in quantum Monte Carlo<\/dt>\n<dd>G. Rajagopal, R. J. Needs, S. Kenny, W. M. C. Foulkes and A. James, Phys. Rev. Lett. <b>73<\/b>, 1959 (1994) *; G. Rajagopal, R. J. Needs, A. James, S. D. Kenny and W. M. C. Foulkes, Phys. Rev. B <b>51<\/b>, 10591 (1995).<\/dd>\n<dt>Twist averaging<\/dt>\n<dd>C. Lin, F. H. Zong and D. M. Ceperley, Phys. Rev. E <b>64<\/b>, 016702 (2001).<\/dd>\n<dt>The fixed-phase approximation<\/dt>\n<dd>G. Ortiz, D. M. Ceperley and R. M. Martin, Phys. Rev. Lett. <b>71<\/b>, 2777 (1993).<\/dd>\n<dt>The model periodic Coulomb interaction<\/dt>\n<dd>A. J. Williamson, G. Rajagopal, R. J. Needs, L. M. Fraser, W. M. C. Foulkes, Y. Wang and M.-Y. Chou, Phys. Rev. B <b>55<\/b>, R4851 (1997) *; L. M. Fraser, W. M. C. Foulkes, G. Rajagopal, R. J. Needs, S. D. Kenny and A. J. Williamson, Phys. Rev. B <b>53<\/b>, 1814 (1996).<\/dd>\n<dt>Finite-size corrections<\/dt>\n<dd>N. D. Drummond, R. J. Needs, A. Sorouri and W. M. C. Foulkes, Phys. Rev. B <b>78<\/b>, 125106 (2008).<\/dd>\n<dt>The Ewald interaction in two dimensions<\/dt>\n<dd>D. E. Parry, Surf. Sci. <b>49<\/b>, 433 (1975); erratum, Surf. Sci. <b>54<\/b>, 195 (1976).<\/dd>\n<dt>The Ewald interaction in one dimension<\/dt>\n<dd>V. R. Saunders, C. Freyria-Fava, R. Dovesi and C. Roetti, Comput. Phys. Commun. <b>84<\/b>, 156 (1994).<\/dd>\n<dt>Non-local pseudopotentials in quantum Monte Carlo<\/dt>\n<dd>S. Fahy, X. W. Wang and S. G. Louie, Phys. Rev. B <b>42<\/b>, 3503 (1990).<\/dd>\n<dt>The locality approximation for non-local pseudopotentials<\/dt>\n<dd>L. Mit&aacute;&scaron;, E. L. Shirley and D. M. Ceperley, J. Chem. Phys. <b>95<\/b>, 3467 (1991).<\/dd>\n<dt>The T-move scheme for non-local pseudopotentials<\/dt>\n<dd>M. Casula, Phys. Rev. B <b>74<\/b>, 161102 (2006).<\/dd>\n<dt>CASINO&rsquo;s pseudopotentials<\/dt>\n<dd>J. R. Trail and R. J. Needs, J. Chem. Phys. <b>122<\/b>, 174109 (2005); J. Chem. Phys. <b>122<\/b>, 014112 (2005).<\/dd>\n<dt>Blip functions<\/dt>\n<dd>D. Alf&egrave; and M. J. Gillan, Phys. Rev. B <b>70<\/b>, 161101 (2004).<\/dd>\n<dt>Localised orbitals in quantum Monte Carlo<\/dt>\n<dd>D. Alf&egrave; and M. J. Gillan, J. Phys.: Condens. Matter <b>16<\/b>, L305 (2004) *; A. J. Williamson, R. Q. Hood and J. C. Grossman, Phys. Rev. Lett. <b>87<\/b>, 246406 (2001).<\/dd>\n<dt>Forces in CASINO<\/dt>\n<dd>A. Badinski, J. R. Trail and R. J. Needs, J. Chem. Phys. <b>129<\/b>, 224101 (2008) *; A. Badinski, P. D. Haynes, J. R. Trail and R. J. Needs, J. Phys.: Condens. Matter <b>22<\/b>, 074202 (2010).<\/dd>\n<dt>Reblocking<\/dt>\n<dd>H. Flyvbjerg and H. G. Petersen, J. Chem. Phys. <b>91<\/b>, 461 (1989).<\/dd>\n<\/dl>\n","protected":false},"excerpt":{"rendered":"<p>A publication of results obtained with CASINO cites, in full: R. J. Needs, M. D. Towler, N. D. Drummond, P. L&oacute;pez R&iacute;os and J. R. Trail, Variational and diffusion quantum Monte Carlo calculations with the CASINO code, J. Chem. Phys. 152, 154106 (2020). doi:10.1063\/1.5144288 A publication that describes or discusses one of the methods or &hellip; <a href=\"https:\/\/vallico.net\/casinoqmc\/how-to-cite\/\" class=\"more-link\">Continue reading <span class=\"screen-reader-text\">How to cite<\/span> <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"open","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-100","page","type-page","status-publish","hentry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.8 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>How to cite - Quantum Monte Carlo<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/vallico.net\/casinoqmc\/how-to-cite\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"How to cite - Quantum Monte Carlo\" \/>\n<meta property=\"og:description\" content=\"A publication of results obtained with CASINO cites, in full: R. 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