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- ABRAMOWITZ 65
- Abramowitz, M., Stegun, I. A., eds.:
Handbook of Mathematical Functions. Dover, New York, 1965.
- ALDER 57
- Alder, B. J. and Wainwright, T. E.,
J. Chem. Phys. 27 (1957) 1208.
- ALDER 67
- Alder, B. J., and Wainwright, T. E.,
Phys. Rev. Lett. 18 (1967) 988.
- ALEXANDER 95
- Alexander, F. J., Garcia, A. L.,
and Alder, B. J., Phys. Rev. Lett. 74 (1995) 5212.
- ALLEN 90
- Allen, M. P., and Tildesley, D. J.: Computer
Simulation of Liquids. Oxford University Press, 1990.
- BARNETT 86
- Barnett, R. N., Reynolds, P. J., and
Lester, W. A., J. Chem. Phys. 84 (1986) 4992.
- BINDER 87
- Binder, K.: Applications of the Monte Carlo
Method in Statistical Physics. Springer, Berlin 1987.
- BINDER 92
- Binder, K.: The Monte Carlo
Method in Condensed Matter Physics. Springer, Berlin 1992.
- BIRD 94
- Bird, G. A.: Molecular Gas Dynamics
and the Direct Simulation of Gas Flows. Oxford University Press.
- BRIGGS 94
- Briggs, W. L.: A Multigrid Tutorial.
Society for Industrial and Applied Mathematics (SIAM), Philadelphia,
Pennsylvania 1987,1994.
- BROOKS 83
- Brooks, B. R., Bruccoleri, R. E.,
Olafson, B. D., States, D. J., Swaminathan, S., and Karplus, M.,
CHARMM: A Program for Macromolecular Energy, Minimization, and Dynamics
Calculations, J. Comp. Chem. 4 (1983) 187-217.
- CANDY 91
- Candy, J., and Rozmus, W., J. Computat. Phys.
92 (1991) 230.
- CAR 85
- Car, R., and Parrinello, M., Phys. Rev.
Lett. 55 (1985) 2471.
- CAVENDISH WWW
-
Web site on Quantum Monte Carlo Simulations,
Cavendish Laboratory, University of Cambridge:
www.tcm.phy.cam.ac.uk/
~
mdt26/cqmc.html
- CEPERLEY 80
- Ceperley, D. M., and Alder, B. J.,
Phys. Rev. Lett. 45/7 (1980) 566; Science 231 (1986) 555.
- CEPERLEY 88
- Ceperley, D. M., and Bernu, B.,
J. Chem. Phys. 89 (1988) 6316.
- CEPERLEY 95
-
Ceperley, D. M.,
Path Integrals in the Theory of Condensed Helium.
Rev. Mod. Phys. 67 (1995) 279.
- CEPERLEY 96
-
Ceperley, D. M., and Mitas, L.,
Quantum Monte Carlo Methods in Chemistry,
in:
Prigogine, I., and Rice, S. A. (Eds.):
New Methods in Computational Quantum Mechanics.
Advances in Chemical Physics, XCIII.
John Wiley, New York 1996.
- CEPERLEY WWW
-
Web site of the National Center for Supercomputing
Applications, dept. of Condensed Matter Physics:
www.ncsa.uiuc.edu/Apps/CMP/
- CHANDLER 81
- Chandler, D., and Wolynes, P. G.,
J. Chem. Phys. 74 (1981) 4078.
- CHEN 91
- Chen, S., Chen, H., Martinez, D., and
Matthaeus, W. H., Phys. Rev. Lett. 67 (1991) 3776.
- CHEN 94
- Chen, S., Doolen, G. D., and Eggert, K. G.,
Los Alamos Science 22 (1994) 98.
- CICERO -44
- Cicero, M. T.: De Fato, Book XX.
Rome, 44 A.C. Quoted from: Cicero: On Fate & Boethius: The Consolation of
Philosophy. Edited with Introduction, Translation and Commentary by
R. W. Sharples. Aris & Phillips Ltd., Warminster, England.
- COKER 87
- Coker, D. F., Berne, B. J., and
Thirumalai, D., J. Chem. Phys. 86 (1987) 5689.
- COLDWELL 74
- Coldwell, R. L., J. Computat. Phys.
14 (1974) 223.
- COOPER 89
- Cooper, Necia G.: The beginning of the
MC method. In: Cooper, N. G., ed.: From Cardinals to Chaos. Reflections on the
Life and Legacy of Stanislaw Ulam. Cambridge University Press, New York 1989.
- D'HUMI`ERES
- D'Humières, D., Lallemand, P., and
Frisch, U., Europhys. Lett. 2 (1986) 1505.
- DORFMAN 72
- Dorfman, J. R., and Cohen, E. G. D.,
Phys. Rev. A6 (1972) 776.
- EIGEN 82
- Eigen, Manfred, and Winkler, Ruthild:
Das Spiel - Naturgesetze steuern den Zufall. Piper, Munich/Zurich 1982.
(See also: Gardner, M., Scientific American, Oct. 1970 and Feb. 1971.)
- ENGELN 91
- Engeln-Muellges, G., and Reutter, F.:
Formelsammlung zur Numerischen Mathematik mit Standard-FORTRAN 77-Programmen.
BI-Verlag, Mannheim, 1991.
- ERNST 91
- Ernst, M. H., in: Hansen, J.-P., Levesque, D.,
and Zinn-Justin, J. (eds.): Liquides, Cristallisation et Transition Vitreuse.
Les Houches, Session LI. North-Holland, Amsterdam 1991.
- EVANS 86
- Evans, D. J.: Nonequilibrium molecular
dynamics. In: Ciccotti, G., and Hoover, W. G., eds.: Molecular dynamics
simulation of statistical-mechanical systems. (Proceedincs, Intern.
School of Physics ``Enrico Fermi''; course 97) North-Holland, Amsterdam 1986.
- EWALD 21
- Ewald, P. P., Ann. Phys. 64 (1921) 253.
- FRENKEL 90
- Frenkel, D., in: Van Beijeren, H.:
Fundamental Problems in Statistical Mechanics VII. North-Holland, Amsterdam
1990.
- FRISCH 86
- Frisch, U., Hasslacher, B., and Pomeau, Y.,
Phys. Rev. Lett. 56 (1986) 1505.
- GALLI 90A
- Galli, G., and Parrinello, M., J. Phys.:
Condensed Matter 2 (1990) SA227.
- GALLI 90B
- Galli, G. et al., Phys. Rev. B
42/12 (1990) 7470.
- GARCIA 97
- Garcia, A. L., and Baras, F.:
Direct Simulation Monte Carlo: Novel Applications and New Extensions.
In: Proceedings of the Third Workshop on
Modelling of Chemical Reaction Systems, Heidelberg (1997).
CD-ROM ISBN 3-932217-00-4, or download from
"www.wenet.net/
~
algarcia/Pubs/".
- GARCIA 99
- Garcia, A. L.: Numerical Methods for
Physics. Prentice Hall, New Jersey, 1999.
- GEAR 66
- Gear, C. W., Argonne Natl. Lab.
Report ANL-7126 (1966).
- GEAR 71
- Gear, C. W.: Numerical Initial Value
Problems in Ordinary Differential Equations. Prentice-Hall, New Jersey 1971.
- GINGOLD 77
- Gingold, R. A., and Monaghan, J. J., Mon. Not.
Roy. Astron. Soc. 181 (1977) 375.
- GOLDBERG 89
- Goldberg, D. E.: Genetic Algorithms in
Search, Optimization and Machine Learning.
Addison-Wesley, Reading, MA 1989.
- GOLDSTEIN 80
- Goldstein, H.: Classical Mechanics;
Second Edition. Addison-Wesley, Reading, Mass., 1980.
- GUTBROD 99
- Gutbrod, F.: New trends in pseudo-random
number generation, in: Stauffer D. (Ed.), Ann. Rev. Comp. Phys. VI, World
Scientific, 1999.
- HANSEN 69
- Hansen, J.-P., and Verlet, L., Phys. Rev.
184 (1969) 151.
- HANSEN 86
- Hansen, J.-P., and McDonald, I. R.:
Theory of Simple Liquids; 2nd edition. Academic Press, London 1986.
- HARDY 73
- Hardy, J., Pomeau, Y., and de Pazzis, O.,
J. Math Phys. 14 (1973) 1746; Phys. Rev., A 13 (1976) 1949.
- HARLOW 65
- Harlow, F. H., and Welch, J. E.,
Phys. Fluids 8 (1965) 2182.
- HEHRE 86
- Hehre, W. J., Radom, L., Schleyer, P. v. R., and
Pople, J. A.: Ab initio molecular orbital theory. Wiley, New York 1986.
- HELLER 75
- Heller, E. J., J. Chem. Phys.
62 (1975) 1544.
- HELLER 76
- Heller, E. J., J. Chem. Phys.
64 (1976) 63.
- HERRERO 95
- Herrero, C. P., Ramirez, R.,
Phys. Rev. B 51 (1995) 16761.
- HEYES 86
- Heyes, D. M., Mol. Phys. 57/6 (1986) 1265.
- HOCKNEY 70
- Hockney, R. W.: The potential
calculation and some applications, in: Alder, B., Fernbach, S., Rotenberg, M.
(eds.): Methods in Computational Physics, Vol. 9, Plasma Physics.
Academic Press, New York/London, 1970.
- HOCKNEY 81
- Hockney, R. W., and Eastwood, J. W.:
Computer Simulation Using Particles. McGraw-Hill, New York 1981.
- HOLIAN 87
- Holian, B. L., Hoover, W. G.,
Posch, H. A., Phys. Rev. Lett. 59/1 (1987) 10.
- HOLIAN 95
- Holian, B. L., Voter, A. F., and
Ravelo, R., Phys. Rev. E 52 (1995) 2338.
- HONERKAMP 91
- Honerkamp, J.: Stochastische
Dynamische Systeme. Verlag Chemie, Weinheim 1991.
- HOOVER 68
- Hoover, W. G., and Ree, F. H., J. Chem.
Phys. 49 (1968) 3609.
- HOOVER 91
- Hoover, W. G.: Computational Statistical
Mechanics. Elsevier, Amsterdam, Oxford, New York, Tokyo 1991.
- HOOVER 99
- Hoover, W. G.: Time Reversibility,
Computer Simulation, and Chaos. World Scientific, Singapore, New Jersey,
London, Hong Kong 1999.
- HUBER 88
- Huber, D., and Heller, E. J.,
J. Chem. Phys. 89/8 (1988) 4752.
- IVANOV 00
- Ivanov, D., Doctoral Dissertation,
University of Vienna, 2000.
- JAMES 90
- James, F.: A Review of Pseudorandom
Generators. CERN-Data Handling Division, Rep. No. DD/88/22, 1988.
- JENNEWEIN 00
-
Jennewein, Th., Achleitner, U., Weihs, G., Weinfurter, H., and
Zeilinger, A., Rev. Sci. Instr. 71/4 (2000) 1675.
- JONES 1711
- Jones, William, ed.: Analysis per
Quantitatum Series, Fluxiones, ac Differentias. London 1711.
- KALOS 74
- Kalos, M. H., Levesque, D., and
Verlet, L., Phys. Rev. A 138 (1974) 257.
- KALOS 86
- Kalos, M. H., and Whitlock, P. A.:
Monte Carlo Methods. Wiley, New York 1986.
- KASTENMEIER 86
- Kastenmeier, Th., and Vesely, F. J.,
Robotica 14 (1996) 329.
- KIRKPATRICK 81
- Kirkpatrick, S., and Stoll, E. P.,
J. Comp. Phys. 40 (1981) 517.
- KIRKPATRICK 83
- Kirkpatrick S.,
Gelatt, C. D., Jr., and Vecchi, M. P., Science 220 (1983) 671.
- KNAUP 99
- Knaup, M., Reinhard, P.-G., and
Toepfer, Ch., Contrib. Plasma Phys. 39 (1999) 57.
- KNUTH 69
- Knuth, D. E.: The Art of Computer
Programming. Addison-Wesley, Reading, Massachusetts, 1969.
- KOHLER 72
- Kohler, F., Findenegg, G. H., Fischer, J.,
Posch, H., and Weissenboeck, F.: The Liquid State. Verlag Chemie,
Weinheim 1972.
- KOHN 65
- Kohn, W., and Sham, L. J., Phys. Rev.
140 (1965) A1133.
- KOLAR 89
- Kolar, M., and Ali, M. K., J. Chem.
Phys. 90/2 (1989) 1036.
- KOONIN 85
- Koonin, S. E.: Computational Physics.
Benjamin, New York 1985.
- KUBO 71
- Ryogo Kubo: Statistical Mechanics.
North-Holland, Amsterdam/London 1971.
- LANDAU 62
- Landau, L. D., and Lifschitz, E. M.:
Mechanik. Berlin 1962.
- LANKFORD 90
- Lankford, J., and Slavings, R. L.,
Physics Today, March 1990, p.58.
- LEVESQUE 69
- Levesque, D., and Verlet, L.,
Phys. Rev. 182 (1969) 307; Phys. Rev. A2/6 (1970) 2514;
- and Kuerkijaervi, J., Phys. Rev. A7/5 (1973) 1690.
- LUCY 77
- Lucy, L. B., The Astronomical Journal 82/12
(1977) 1013.
- MACKERRELL 98
-
MacKerell, A. D., Brooks, B., Brooks, C. L.,
Nilsson, L., Roux, B., Won, Y., and Karplus, M.:
CHARMM: The Energy Function and Its Parameterization with an Overview
of the Program, in:
Schleyer, P. v. R. et al., editors: The Encyclopedia of Computational
Chemistry, John Wiley & Sons, Chichester 1998.
- MAKRI 99
- Makri, N., Ann. Rev. Phys. Chem. 50
(1999) 167.
- MARSAGLIA 72
- Marsaglia, G., Ann. Math. Stat.
43/2 (1972) 645.
- MARSAGLIA 90
- Marsaglia, G., and Zaman, A.,
Stat. & Probab. Letters 8 (1990) 35.
- MARTYNA 92
-
Martyna, G. J., Klein, M., and Tuckerman, M. J.,
Chem. Phys. 97 (1992) 2635.
- MARTINEZ 97
- Martinez, T. J., Ben-Nun, M., Levine,
R. D., J. Phys. Chem. 101 (1997) 6389.
- MAZUR 70
- Mazur, P., and Oppenheim, I., Physica 50 (1970)
241.
- MAZZONE 99
- Mazzone, A. M., in: Stauffer, D. (Ed.):
Ann. Rev. Comp. Ph. VI, World Scientific, Singapore 1999.
- MCDONALD 74
- McDonald I. R., J. Phys. C: Sol. St. Ph.,
7 (1974) 1225.
- MCKEOWN 87
- McKeown, P. K., and Newman, D. J.:
Computational Techniques in Physics. Adam Hilger, Bristol 1987.
- METROPOLIS 49
- Metropolis, N., and Ulam, S.,
J. Amer. Statist. Assoc. 44 (1949) 335.
- METROPOLIS 53
- Metropolis, N. A.,
Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H., and Teller, E.,
J. Chem. Phys. 21 (1953) 1087.
- MEYERS 56
- Meyers, H. A. (ed.): Symposium on Monte
Carlo Methods. Wiley, New York 1956.
- MONAGHAN 92
- Monaghan, J. J., Ann. Rev. Astron.
Astrophysics 30 (1992) 543.
- MONAGHAN 89
- Monaghan, J. J., J. Comput. Phys. 82/1
(1989) 1.
- MORI 65
- Mori, H., Prog. theor. Phys. 34 (1965)
399.
- MULLER 58
- Muller, M. E., Math. Tables Aids Comp.
63 (1958) 167.
- NANBU 83
- Nanbu, K., J. Phys. Soc. Jpn. 52
(1983) 3382.
- NERI 88
- Neri, F., preprint, Dept. of Physics, Univ. of
Maryland, 1988.
- NEUMANN 86
- Neumann, M., J. Chem. Phys.
85 (1986) 1567.
- NEWTON 1674
- Newton, Sir Isaac, quoted from
Whiteside, D. T., ed.: The Mathematical Papers of Isaac Newton,
Volume IV, 1674-1684. Cambridge University Press, 1971, p.6.
- NIEDERREITER 82
- Niederreiter, H., in:
Grossmann, W., et al., eds.: Probability and Statistical Inference.
Reidel, Dordrecht, 1982.
- NILSSON 90
- Nilsson, L. G., and Padrò, J. A.,
Mol. Phys. 71 (1990) 355.
- NOS´E 91
- Nosé, Sh.: The development
of Molecular Dynamics simulations in the 1980s. In: Yonezawa, F., Ed.:
Molecular Dynamics Simulation. Springer, Berlin 1992.
- NUGENT 00
- Nugent, S., and Posch, H. A.,
Phys. Rev. E 62/4 (2000), to appear.
- OHNO 99
- Ohno, K., Esfarjani, K., and Kawazoe, Y.:
Computational Materials Science - From Ab Initio to Monte Carlo
Methods. Springer, Berlin 1999.
- PAPOULIS 81
- Papoulis, Athanasios: Probability,
Random Variables and Stochastic Processes. McGraw-Hill International Book
Company, 1981.
- PARRINELLO 84
- Parrinello, Rahman,
J. Chem. Phys. 80 (1984) 860.
- POSCH 89
- Posch, H. A., and Hoover, W. G.,
Phys. Rev. A 39/4 (1989) 2175.
- POSCH 90
- Posch, H. A., Hoover, W. G., and Holian, B. L.,
Ber. Bunseng. Phys. Chem. 94 (1990) 250.
- POSCH 92
- Posch, H. A., and Hoover, W. G.,
in: J. J. C. Texeira-Dias (ed.): Molecular Liquids - New Perspectives
in Physics and Chemistry. Kluwer Academic, Netherlands 1992; p. 527.
- POSCH 97
- Posch, H. A., and Hoover, W. G.,
Phys. Rev. E 55 (1997) 6803.
- POTTER 80
- Potter, D.: Computational Physics.
Wiley, New York 1980.
- PRESS 86
- Press, W. H., Flannery, B. P.,
Teukolsky, S. A., and Vetterling, W. T.: Numerical Recipes - The Art of
Scientific Computing. Cambridge University Press, New York 1986.
- QUIAN 92
- Quian, Y. H., D'Humières, D., and
Lallemand, P., Europhys. Lett. 17 (1992) 479.
- QUIAN 95
- Quian, Y. H., Succi, S., and Orszag, S.,
Ann. Rev. Comput. Phys. III (1995) 195.
- RAHMAN 64
- Rahman, A., Phys. Rev.
136/2A (1964) A405.
- RAHMAN 71
- Rahman, A., Stillinger, F. H., J. Chem.
Phys. 55/7 (1971) 3336.
- RAPAPORT 88
- Rapaport, D. C.: Molecular
Dynamics: A New Approach to Hydrodynamics? In: Landau, D. P., Mon, K. K., and
Schuettler, H.-B., eds.: Springer Proceedings in Physics,
Vol. 33: Computer Simulation Studies in Condensed Matter Physics.
Springer, Berlin 1988.
- RUTH 83
- Ruth, R. D., IEEE Trans. Nucl. Sci. NS-30
(1983) 2669.
- RYCKAERT 77
- Ryckaert, J. P., Ciccotti, G., and
Berendsen, H. J. C., J. Comp. Phys. 23 (1977) 327.
- SINGER 86
- Singer, K., and Smith, W.,
Mol. Phys. 57/4 (1986) 761.
- SKINNER 85
- Skinner, D. W., Moskowitz, J. W.,
Lee, M. A., Whitlock, P. A., and Schmidt, K. E., J. Chem. Phys. 83 (1985) 4668.
- SMITH 90
- Smith, D. E., and Harris, C. B.,
J. Chem. Phys. 92 (1990) 1304.
- SMITH 96
- Smith, W., and Forrester, T. R.,
J. Molec. Graphics 14 (1996) 136.
- SMITH WWW
- Smith, W., and Forrester, T. R.,
downloadable software package DL_POLY: www.dl.ac.uk/TCS/Software/DL_POLY/
- STAUFFER 89
- Stauffer, D., Hehl, F. W., Winkelmann, V.,
and Zabolitzky, J. G.: Computer Simulation and Computer Algebra. Springer,
Berlin 1989.
- STOER 89
- Stoer, J.: Numerische Mathematik. Springer,
Berlin 1989.
- STOERMER 07
-
Størmer, C., Arch. Sci. Phys. Nat. Genève, 1907.
- STOERMER 21
-
Størmer, C., in: Congres International Mathematique
Strasbourg. Toulouse 1921.
- SWOPE 82
- Swope, W. C., Andersen, H. C.,
Berens, P. H., and Wilson, K. R., J. Chem. Phys. 76 (1982) 637.
- TAUSWORTHE 65
- Tausworthe, R. C., Math. Comp.
19 (1965) 201.
- TOMASSINI 95
- Tomassini, M.: A Survey of
Genetic Algorithms. In: Ann. Revs. Comp. Phys., Vol. III, p. 87.
World Scientific, Singapore 1995.
- ULAM 47
- Ulam, S., Richtmeyer, R. D.,
Von Neumann, J., Los Alamos Nat. Lab. Sci. Rep. LAMS-551, 1947.
- VAN GUNSTEREN 84
- Van Gunsteren, W. F.,
and Berendsen, H. J. C.,
GROMOS Software Manual. University of Groningen 1984.
- VERLET 67
- Verlet, L., Phys. Rev. 159/1 (1967) 98;
ibidem, 165/1 (1968) 201.
- VESELY 78
- Vesely, F. J.: Computerexperimente an
Fluessigkeitsmodellen. Physik Verlag, Weinheim 1978.
- VESELY 82
- Vesely, F. J., J. Computat. Phys.
47/2 (1982) 291.
- VESELY 84
- Vesely, F. J., Mol. Phys. 53 (1984) 505.
- VINEYARD 62
- Vineyard, G. H., Proc. Intern.
School of Physics Enrico Fermi, Course XVIII (1960). Academic Press,
New York 1962.
- VITEK 89
- Vitek, V., Srolovitz, D. J., eds.:
Atomistic simulations of materials: Beyond pair potentials. Plenum,
New York 1989.
- WENTZCOVICH 91
- Wentzcovich, R. M., and
Martins, J. L., University of Minnesota Supercomputer Institute Res. Rep.
UMSI 91/13, 1991.
- WESSELING 92
- Wesseling, P.: An Introduction
to Multigrid Methods. John Wiley, New York 1992.
- WHITLOCK 79
- Whitlock et al., Phys. Rev. B
19 (1979) 5598.
- WILKINSON 67
- Wilkinson, J. H.: in Klerer, M. and
Korn, G. A.(Eds.): Digital Computer User's Handbook, McGraw-Hill,
New York 1967.
- WOLFRAM 84
- Wolfram, S., Nature 311 (1984) 419.
- WOLFRAM 86
- Wolfram, S.: Theory and Applications of
Cellular Automata. World Scientific, 1986.
- WOLFRAM 86B
- Wolfram, S.: J. Statist. Phys. 45/3-4
(1986) 471.
- YOSHIDA 93
- Yoshida, H., Celest. Mech. Dynam. Astron.
56 (1993) 27.
- ZOPPI 91
- Zoppi, M., and Neumann, M.,
Phys. Rev. B43 (1991) 10242.
Subsections
Franz J. Vesely Oct 2005
See also: "Computational Physics - An Introduction," Kluwer-Plenum 2001