The citation required in any publication quoting results obtained with the current version of CASINO is as follows: <\/i><\/p>\n
R.J. Needs, M.D. Towler, N.D. Drummond, P. L\u00f3pez R\u00edos and J.R. Trail, <\/i>J. Chem. Phys. <\/i>152<\/b>, 154106<\/i> (2020).<\/p>\n
Other publications covering the VMC and DMC methods and some of the algorithms used in CASINO are listed below. If you wish to describe or discuss any of these algorithms in your CASINO publications,<\/span> or use our pseudopotential library<\/a>, please refer to publications from the list. For some topics with multiple references, the publication most appropriate for the algorithms used in CASINO is marked with a red asterisk; the other publications give additional information.<\/span><\/p>\n The citation required in any publication quoting results obtained with the current version of CASINO is as follows: R.J. Needs, M.D. Towler, N.D. Drummond, P. L\u00f3pez R\u00edos and J.R. Trail, J. Chem. Phys. 152, 154106 (2020). Other publications covering the VMC and DMC methods and some of the algorithms used in CASINO are listed below. … Continue reading How to cite<\/span> \n
\nN. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller and E. Teller,
\nJ. Chem. Phys<\/em>. 21<\/b>, 1087 (1953).<\/li>\n
\nW.L. McMillan
\nPhys. Rev. A<\/em> 138<\/b>, 442 (1965).<\/li>\n
\nJ.B. Anderson,
\nJ. Chem. Phys.<\/em> 63<\/b>, 1499 (1975) ;
\nJ. Chem. Phys<\/em>. 65<\/b>, 4121 (1976).<\/li>\n
\nD.M. Ceperley and B.J. Alder,
\nPhys. Rev. Lett.<\/em> 45<\/b>, 566 (1980).<\/li>\n
\nW.M.C. Foulkes, L. Mitas, R.J. Needs and G. Rajagopal
\nRev. Mod. Phys<\/em>. 73<\/b>, 33 (2001).<\/li>\n
\nC.J. Umrigar, M.P. Nightingale and K.J. Runge
\nJ. Chem. Phys<\/em>. 99<\/b>, 2865 (1993).<\/li>\n
\nC.J. Umrigar, M.P. Nightingale and K.J. Runge
\nJ. Chem. Phys.<\/em> 99<\/b>, 2865 (1993).<\/li>\n
\nN.D. Drummond, M.D. Towler and R.J. Needs
\nPhys. Rev. B<\/em> 70<\/b>, 235119 (2004).<\/li>\n
\nP. L\u00f3pez R\u00edos, A. Ma, N.D. Drummond, M.D. Towler and R.J. Needs
\nPhys. Rev. E<\/em> 74<\/b>, 066701 (2006).<\/li>\n
\nA. Ma, M.D. Towler, N.D. Drummond and R.J. Needs
\nJ. Chem. Phys<\/em>. 122<\/b>, 224322 (2005).<\/li>\n
\nC.J. Umrigar, K.G. Wilson and J.W. Wilkins
\nPhys. Rev. Lett<\/em>. 60<\/b>, 1719 (1988).<\/li>\n
\nN.D. Drummond and R.J. Needs
\nPhys. Rev. B<\/em> 72<\/b>, 085124 (2005).<\/li>\n
\nC.J. Umrigar, J. Toulouse, C. Filippi, S. Sorella and R.G. Hennig
\nPhys. Rev. Lett.<\/em> 98<\/b>, 110201 (2007).<\/li>\n
\nG. Rajagopal, R.J. Needs, S. Kenny, W.M.C. Foulkes and A. James
\nPhys. Rev. Lett<\/em>. 73<\/b>, 1959 (1994). *
\n<\/span>G. Rajagopal, R.J. Needs, A. James, S.D. Kenny and W.M.C. Foulkes,
\nPhys. Rev. B<\/em> 51<\/b>, 10591 (1995).<\/li>\n
\nC. Lin, F.H. Zong, and D.M. Ceperley
\nPhys. Rev. E<\/em> 64<\/b>, 016702 (2001).<\/li>\n
\nM.D. Jones, G. Ortiz, D.M. Ceperley and R.M. Martin
\nPhys. Rev. Lett.<\/em> 71<\/b>, 2777 (1993).<\/li>\n
\nA.J. Williamson, G. Rajagopal, R.J. Needs, L.M. Fraser, W.M.C. Foulkes, Y. Wang and M.-Y. Chou
\nPhys. Rev. B<\/em> 55<\/b>, R4851 (1997). *
\n<\/span>L.M. Fraser, W.M.C. Foulkes, G. Rajagopal, R.J. Needs, S.D. Kenny and A.J. Williamson
\nPhys. Rev. B<\/em> 53<\/b>, 1814 (1996).<\/li>\n
\nN.D. Drummond, R.J. Needs, A. Sorouri and W.M.C. Foulkes
\nPhys. Rev. B<\/em> 78<\/b>, 125106 (2008).<\/li>\n
\nD.E. Parry
\nSurf. Sci<\/em>. 49<\/b>, 433 (1975); erratum in ibid.<\/em> 54<\/b>, 195 (1976).<\/li>\n
\nV.R. Saunders, C. Freyria-Fava, R. Dovesi and C. Roetti
\nComp. Phys. Comm.<\/em> 84<\/b>, 156 (1994).<\/li>\n
\nS. Fahy, X.W. Wang and S.G. Louie
\nPhys. Rev. B<\/em> 42<\/b>, 3503 (1990).<\/li>\n
\nL. Mitas, E.L. Shirley and D.M. Ceperley
\nJ. Chem. Phys<\/em>. 95<\/b>, 3467 (1991).<\/li>\n
\nM. Casula
\nPhys. Rev. B<\/em> 74<\/b>, 161102 (2006).<\/li>\n
\nJ.R. Trail and R.J. Needs
\nJ. Chem. Phys.<\/em> 122<\/b>, 174109 (2005).
\nJ.R. Trail and R.J. Needs
\nJ. Chem. Phys.<\/em> 122<\/b>, 014112 (2005).<\/li>\n
\nD. Alf\u00e8 and M.J. Gillan
\nPhys. Rev. B<\/em> 70<\/b>, 161101 (2004).<\/li>\n
\nD. Alf\u00e8 and M.J. Gillan
\nJ. Phys.: Condens. Matter<\/em> 16<\/b>, L305 (2004). *
\n<\/span>A.J. Williamson, R.Q. Hood and J.C. Grossman
\nPhys. Rev. Lett.<\/em> 87<\/b>, 246406 (2001).<\/li>\n
\nA. Badinski, J.R. Trail and R.J. Needs
\nJ. Chem. Phys.<\/em> 129<\/b>, 224101 (2008). *
\n<\/span>A. Badinski, P.D. Haynes, J.R. Trail and R.J. Needs
\nJ. Phys.: Condens. Matter <\/em>22<\/b>, 074202 (2010).<\/li>\n
\nH. Flyvbjerg and H.G. Petersen
\nJ. Chem. Phys.<\/em> 91<\/b>, 461 (1989).<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"