Franz J. Vesely > CompPhys Tutorial > Appendix > Bibliography  
 
 





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Bibliography




A4 Bibliography


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.

VESELY 01
Vesely, F. J.: Computational Physics - An Introduction Second Edition. Kluwer Academic / Plenum Publishers, New York-London 2001. ISBN 0-306-46631-7.

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.



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