An Ewald summation based multipole method
dc.contributor.author | Duan, Zhong-Hui | en_US |
dc.contributor.author | Krasny, Robert | en_US |
dc.date.accessioned | 2010-05-06T20:59:36Z | |
dc.date.available | 2010-05-06T20:59:36Z | |
dc.date.issued | 2000-09-01 | en_US |
dc.identifier.citation | Duan, Zhong-Hui; Krasny, Robert (2000). "An Ewald summation based multipole method." The Journal of Chemical Physics 113(9): 3492-3495. <http://hdl.handle.net/2027.42/69692> | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/69692 | |
dc.description.abstract | We present a method for evaluating Coulomb interactions in periodic molecular systems. The real space term in Ewald summation is accelerated using a tree code in which interactions between clusters and distant particles are approximated by multipole expansions. The performance is reported for water systems. © 2000 American Institute of Physics. | en_US |
dc.format.extent | 3102 bytes | |
dc.format.extent | 74802 bytes | |
dc.format.mimetype | text/plain | |
dc.format.mimetype | application/pdf | |
dc.publisher | The American Institute of Physics | en_US |
dc.rights | © The American Institute of Physics | en_US |
dc.title | An Ewald summation based multipole method | en_US |
dc.type | Article | en_US |
dc.subject.hlbsecondlevel | Physics | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Mathematics, University of Michigan, Ann Arbor, Michigan 48109-1109 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/69692/2/JCPSA6-113-9-3492-1.pdf | |
dc.identifier.doi | 10.1063/1.1289918 | en_US |
dc.identifier.source | The Journal of Chemical Physics | en_US |
dc.identifier.citedreference | T. Schlick, R. D. Skeel, A. T. Brunger, L. V. Kale, J. A. Board, Jr., J. Hermans, and K. Schulten, J. Comput. Phys. JCTPAH151, 9 (1999). | en_US |
dc.identifier.citedreference | M. P. Allen and D. J. Tildesley, Computer Simulaton of Liquids (Oxford University Press, New York, 1987). | en_US |
dc.identifier.citedreference | S. W. de Leeuw, J. W. Perram, and E. R. Smith, Proc. R. Soc. London, Ser. A PRLAAZ373, 27 (1980). | en_US |
dc.identifier.citedreference | S. W. de Leeuw, J. W. Perram, and H. G. Petersen, Mol. Phys. MOPHAM65, 875 (1988). | en_US |
dc.identifier.citedreference | A. Y. Toukmaji and J. A. Board, Jr., Comput. Phys. Commun. CPHCBZ95, 73 (1996). | en_US |
dc.identifier.citedreference | L. Greengard and V. Rokhlin, J. Comput. Phys. JCTPAH73, 325 (1987). | en_US |
dc.identifier.citedreference | K. E. Schmidt and M. A. Lee, J. Stat. Phys. JSTPBS63, 1223 (1991). | en_US |
dc.identifier.citedreference | H.-Q. Ding, N. Karasawa, and W. A. Goddard III, Chem. Phys. Lett. CHPLBC196, 6 (1992). | en_US |
dc.identifier.citedreference | M. Challacombe, C. White, and M. Head-Gordon, J. Chem. Phys. JCPSA6107, 10131 (1997). | en_US |
dc.identifier.citedreference | R. W. Hockney and J. W. Eastwood, Computer Simulation Using Particles (McGraw–Hill, New York, 1981). | en_US |
dc.identifier.citedreference | J. Shimada, H. Kaneko, and T. Takada, J. Comput. Chem. JCCHDD14, 867 (1993). | en_US |
dc.identifier.citedreference | B. A. Luty, M. E. Davis, I. G. Tironi, and W. F. van Gunsteren, Mol. Simul. MOSIEA14, 11 (1994). | en_US |
dc.identifier.citedreference | T. Darden, D. York, and L. Pedersen, J. Chem. Phys. JCPSA698, 10089 (1993). | en_US |
dc.identifier.citedreference | U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. JCPSA6103, 8577 (1995). | en_US |
dc.identifier.citedreference | A. W. Appel, SIAM (Soc. Ind. Appl. Math.) J. Sci. Stat. Comput. SIJCD46, 85 (1985). | en_US |
dc.identifier.citedreference | J. Barnes and P. Hut, Nature (London) NATUAS324, 446 (1986). | en_US |
dc.identifier.citedreference | L. Greengard, Science SCIEAS265, 909 (1994). | en_US |
dc.identifier.citedreference | C. Draghicescu and M. Draghicescu, J. Comput. Phys. JCTPAH116, 69 (1995). | en_US |
dc.identifier.citedreference | K. Lindsay, Ph.D. thesis, University of Michigan, Ann Arbor, 1997. | en_US |
dc.identifier.citedreference | Z.-H. Duan and R. Krasny (unpublished). | en_US |
dc.identifier.citedreference | A. J. Stone, The Theory of Intermolecular Forces (Clarendon, Oxford, 1996). | en_US |
dc.identifier.citedreference | S. Zhang and J. Jin, Computation of Special Functions (Wiley, New York, 1996). | en_US |
dc.identifier.citedreference | G. Hummer, L. R. Pratt, and A. E. Garcia, J. Phys. Chem. JPCHAX102, 7885 (1998). | en_US |
dc.identifier.citedreference | W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. JCPSA679, 926 (1983). | en_US |
dc.identifier.citedreference | D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995). | en_US |
dc.owningcollname | Physics, Department of |
Files in this item
Remediation of Harmful Language
The University of Michigan Library aims to describe library materials in a way that respects the people and communities who create, use, and are represented in our collections. Report harmful or offensive language in catalog records, finding aids, or elsewhere in our collections anonymously through our metadata feedback form. More information at Remediation of Harmful Language.
Accessibility
If you are unable to use this file in its current format, please select the Contact Us link and we can modify it to make it more accessible to you.