Abstract
We derive expressions for the conjugate momenta and the Hamiltonian for classical dynamical systems subject to holonomic constraints. We give an algorithm for correcting deviations of the constraints arising in numerical solution of the equations of motion. We obtain an explicit expression for the momentum integral for constrained systems.
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J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics ofn-alkanes,J. Comp. Phys. 23:327 (1977).
J. Orban and J. P. Ryckaert, unpublished (1974) [cited in ref. 1].
G. Ciccotti and J. P. Ryckaert, Molecular dynamics simulation of rigid molecules,Comp. Phys. Rep. 4:345 (1986).
R. Edberg, D. J. Evans, and G. P. Morriss, Constrained molecular dynamics: Simulation of liquid alkanes with a new algorithm,J. Chem. Phys. 84:6933 (1986).
M. P. Allen and D. J. Tildesley,Computer Simulation of Liquids (Oxford University Press, 1987).
J. W. Perram and H. G. Petersen, New rigid body equations of motion for molecular dynamics,Mol. Simul. 1:239 (1988).
J. W. Perram and H. G. Petersen, Algorithms for computing the dynamical trajectories of flexible bodies,Mol. Phys. 65:861 (1988).
C. Lanczos,The Variational Principles of Mechanics (University of Toronto Press, 1949).
R. Weinstock,Calculus of Variations (McGraw-Hill, 1952).
G. Gallivotti,The Elements of Mechanics (Springer-Verlag, 1983).
M. Fixman, Classical statistical mechanics of constraints: A theorem and application to polymers,Proc. Natl. Acad. Sci. USA 71:3050 (1974).
C. J. Thompson,Mathematical Statistical Mechanics (Macmillan, 1972).
E. T. Whittaker,A Treatise on the Analytical Dynamics of Particles and Rigid Bodies (Cambridge University Press, 1917).
H. Goldstein,Classical Mechanics (Addison-Wesley, 1950).
E. C. D. Sudarshan and N. Mukunda,Classical Dynamics: A Modern Perspective (Wiley, 1974).
P. A. M. Dirac, Generalized Hamiltonian dynamics,Can. J. Math. 2:129 (1950).
P. A. M. Dirac, Generalized Hamiltonian dynamics,Proc. R. Soc. A 246:326 (1958).
J. L. Anderson and P. G. Bergmann, Constraints in covariant field theories,Phys. Rev. 83:1018 (1951).
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de Leeuw, S.W., Perram, J.W. & Petersen, H.G. Hamilton's equations for constrained dynamical systems. J Stat Phys 61, 1203–1222 (1990). https://doi.org/10.1007/BF01014372
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DOI: https://doi.org/10.1007/BF01014372