Homogeneous variables in classical dynamics

Author(s):  
P. A. M. Dirac

The well-known methods of classical mechanics, based on the use of a Lagrangian or Hamiltonian function, are adequate for the treatment of nearly all dynamical systems met with in practice. There are, however, a few exceptional cases to which the ordinary methods are not immediately applicable. For example, the ordinary Hamiltonian method cannot be used when the momenta pr, defined in terms of the Lagrangian function L by the usual formulae pr = ∂L/∂qr, are not independent functions of the velocities. A practical case of this kind is provided by the electromagnetic field, considered as a dynamical system with an infinite number of degrees of freedom, since the momentum conjugate to the scalar potential at any point vanishes identically. Again, for the very simple example of the relativistic motion of a particle of zero rest-mass in field-free space, the Lagrangian function vanishes and the usual Lagrangian method is not applicable.

2015 ◽  
Vol 27 (06) ◽  
pp. 1530003 ◽  
Author(s):  
Maurice A. de Gosson

In their simplest formulations, classical dynamics is the study of Hamiltonian flows and quantum mechanics of propagators. Both are linked, and emerge from the datum of a single classical concept, the Hamiltonian function. We study and emphasize the analogies between Hamiltonian flows and quantum propagators; this allows us to verify G. Mackey's observation that quantum mechanics (in its Weyl formulation) is a refinement of Hamiltonian mechanics. We discuss in detail the metaplectic representation, which very explicitly shows the close relationship between classical mechanics and quantum mechanics; the latter emerging from the first by lifting Hamiltonian flows to the double covering of the symplectic group. We also give explicit formulas for the factorization of Hamiltonian flows into simpler flows, and prove a quantum counterpart of these results.


Author(s):  
Michael P. Allen ◽  
Dominic J. Tildesley

This chapter covers the introduction of quantum mechanics into computer simulation methods. The chapter begins by explaining how electronic degrees of freedom may be handled in an ab initio fashion and how the resulting forces are included in the classical dynamics of the nuclei. The technique for combining the ab initio molecular dynamics of a small region, with classical dynamics or molecular mechanics applied to the surrounding environment, is explained. There is a section on handling quantum degrees of freedom, such as low-mass nuclei, by discretized path integral methods, complete with practical code examples. The problem of calculating quantum time correlation functions is addressed. Ground-state quantum Monte Carlo methods are explained, and the chapter concludes with a forward look to the future development of such techniques particularly to systems that include excited electronic states.


Author(s):  
M.A. Bubenchikov ◽  
◽  
A.M. Bubenchikov ◽  
D.V. Mamontov ◽  
◽  
...  

The aim of this work is to apply classical mechanics to a description of the dynamic state of C20@C80 diamond complex. Endohedral rotations of fullerenes are of great interest due to the ability of the materials created on the basis of onion complexes to accumulate energy at rotational degrees of freedom. For such systems, a concept of temperature is not specified. In this paper, a closed description of the rotation of large molecules arranged in diamond shells is obtained in the framework of the classical approach. This description is used for C20@C80 diamond complex. Two different problems of molecular dynamics, distinguished by a fixing method for an outer shell of the considered bimolecular complex, are solved. In all the cases, the fullerene rotation frequency is calculated. Since a class of possible motions for a single carbon body (molecule) consists of rotations and translational displacements, the paper presents the equations determining each of these groups of motions. Dynamic equations for rotational motions of molecules are obtained employing the moment of momentum theorem for relative motions of the system near the fullerenes’ centers of mass. These equations specify the operation of the complex as a molecular pendulum. The equations of motion of the fullerenes’ centers of mass determine vibrations in the system, i.e. the operation of the complex as a molecular oscillator.


The steady development of the quantum theory that has taken place during the present century was made possible only by continual reference to the Correspondence Principle of Bohr, according to which, classical theory can give valuable information about quantum phenomena in spite of the essential differences in the fundamental ideas of the two theories. A masterful advance was made by Heisenberg in 1925, who showed how equations of classical physics could be taken over in a formal way and made to apply to quantities of importance in quantum theory, thereby establishing the Correspondence Principle on a quantitative basis and laying the foundations of the new Quantum Mechanics. Heisenberg’s scheme was found to fit wonderfully well with the Hamiltonian theory of classical mechanics and enabled one to apply to quantum theory all the information that classical theory supplies, in so far as this information is consistent with the Hamiltonian form. Thus one was able to build up a satisfactory quantum mechanics for dealing with any dynamical system composed of interacting particles, provided the interaction could be expressed by means of an energy term to be added to the Hamiltonian function. This does not exhaust the sphere of usefulness of the classical theory. Classical electrodynamics, in its accurate (restricted) relativistic form, teaches us that the idea of an interaction energy between particles is only an approxi­mation and should be replaced by the idea of each particle emitting waves which travel outward with a finite velocity and influence the other particles in passing over them. We must find a way of taking over this new information into the quantum theory and must set up a relativistic quantum mechanics, before we can dispense with the Correspondence Principle.


Symmetry ◽  
2018 ◽  
Vol 10 (10) ◽  
pp. 518 ◽  
Author(s):  
Alessandro Sergi ◽  
Gabriel Hanna ◽  
Roberto Grimaudo ◽  
Antonino Messina

Many open quantum systems encountered in both natural and synthetic situations are embedded in classical-like baths. Often, the bath degrees of freedom may be represented in terms of canonically conjugate coordinates, but in some cases they may require a non-canonical or non-Hamiltonian representation. Herein, we review an approach to the dynamics and statistical mechanics of quantum subsystems embedded in either non-canonical or non-Hamiltonian classical-like baths which is based on operator-valued quasi-probability functions. These functions typically evolve through the action of quasi-Lie brackets and their associated Quantum-Classical Liouville Equations, or through quasi-Lie brackets augmented by dissipative terms. Quasi-Lie brackets possess the unique feature that, while conserving the energy (which the Noether theorem links to time-translation symmetry), they violate the time-translation symmetry of their algebra. This fact can be heuristically understood in terms of the dynamics of the open quantum subsystem. We then describe an example in which a quantum subsystem is embedded in a bath of classical spins, which are described by non-canonical coordinates. In this case, it has been shown that an off-diagonal open-bath geometric phase enters into the propagation of the quantum-classical dynamics. Next, we discuss how non-Hamiltonian dynamics may be employed to generate the constant-temperature evolution of phase space degrees of freedom coupled to the quantum subsystem. Constant-temperature dynamics may be generated by either a classical Langevin stochastic process or a Nosé–Hoover deterministic thermostat. These two approaches are not equivalent but have different advantages and drawbacks. In all cases, the calculation of the operator-valued quasi-probability function allows one to compute time-dependent statistical averages of observables. This may be accomplished in practice using a hybrid Molecular Dynamics/Monte Carlo algorithms, which we outline herein.


2021 ◽  
pp. 24-34
Author(s):  
J. Iliopoulos ◽  
T.N. Tomaras

The purpose of this chapter is to recall the principles of Lagrangian and Hamiltonian classical mechanics. Many results are presented without detailed proofs. We obtain the Euler–Lagrange equations of motion, and show the equivalence with Hamilton’s equations. We derive Noether’s theorem and show the connection between symmetries and conservation laws. These principles are extended to a system with an infinite number of degrees of freedom, i.e. a classical field theory. The invariance under a Lie group of transformations implies the existence of conserved currents. The corresponding charges generate, through the Poisson brackets, the infinitesimal transformations of the fields as well as the Lie algebra of the group.


2005 ◽  
Vol 02 (04) ◽  
pp. 633-655
Author(s):  
JOSÉ M. ISIDRO

Duality transformations within the quantum mechanics of a finite number of degrees of freedom can be regarded as the dependence of the notion of a quantum, i.e., an elementary excitation of the vacuum, on the observer on classical phase space. Under an observer we understand, as in general relativity, a local coordinate chart. While classical mechanics can be formulated using a symplectic structure on classical phase space, quantum mechanics requires a complex-differentiable structure on that same space. Complex-differentiable structures on a given real manifold are often not unique. This article is devoted to analysing the dependence of the notion of a quantum on the complex-differentiable structure chosen on classical phase space. For that purpose we consider Kähler phase spaces, endowed with a dynamics whose Hamiltonian equals the local Kähler potential.


Universe ◽  
2019 ◽  
Vol 5 (3) ◽  
pp. 80 ◽  
Author(s):  
Tomi Koivisto ◽  
Georgios Tsimperis

The observer’s frame is the more elementary description of the gravitational field than the metric. The most general covariant, even-parity quadratic form for the frame field in arbitrary dimension generalises the New General Relativity by nine functions of the d’Alembertian operator. The degrees of freedom are clarified by a covariant derivation of the propagator. The consistent and viable models can incorporate an ultra-violet completion of the gravity theory, an additional polarisation of the gravitational wave, and the dynamics of a magnetic scalar potential.


The new quantum theory, based on the assumption that the dynamical variables do not obey the commutative law of multiplication, has by now been developed sufficiently to form a fairly complete theory of dynamics. One can treat mathematically the problem of any dynamical system composed of a number of particles with instantaneous forces acting between them, provided it is describable by a Hamiltonian function, and one can interpret the mathematics physically by a quite definite general method. On the other hand, hardly anything has been done up to the present on quantum electrodynamics. The questions of the correct treatment of a system in which the forces are propagated with the velocity of light instead of instantaneously, of the production of an electromagnetic field by a moving electron, and of the reaction of this field on the electron have not yet been touched. In addition, there is a serious difficulty in making the theory satisfy all the requirements of the restricted principle of relativity, since a Hamiltonian function can no longer be used. This relativity question is, of course, connected with the previous ones, and it will be impossible to answer any one question completely without at the same time answering them all. However, it appears to be possible to build up a fairly satisfactory theory of the emission of radiation and of the reaction of the radiation field on the emitting system on the basis of a kinematics and dynamics which are not strictly relativistic. This is the main object of the present paper. The theory is noil-relativistic only on account of the time being counted throughout as a c-number, instead of being treated symmetrically with the space co-ordinates. The relativity variation of mass with velocity is taken into account without difficulty. The underlying ideas of the theory are very simple. Consider an atom interacting with a field of radiation, which we may suppose for definiteness to be confined in an enclosure so as to have only a discrete set of degrees of freedom. Resolving the radiation into its Fourier components, we can consider the energy and phase of each of the components to be dynamical variables describing the radiation field. Thus if E r is the energy of a component labelled r and θ r is the corresponding phase (defined as the time since the wave was in a standard phase), we can suppose each E r and θ r to form a pair of canonically conjugate variables. In the absence of any interaction between the field and the atom, the whole system of field plus atom will be describable by the Hamiltonian H ═ Σ r E r + H o equal to the total energy, H o being the Hamiltonian for the atom alone, since the variables E r , θ r obviously satisfy their canonical equations of motion E r ═ — ∂H/∂θ r ═ 0, θ r ═ ∂H/∂E r ═ 1.


1982 ◽  
Vol 49 (4) ◽  
pp. 710-714 ◽  
Author(s):  
G. Francfort ◽  
A. Golebiewska Herrmann

The main goal of this paper is to construct a Lagrangian function such that not only the well-known equations of thermoelasticity, but also material conservation laws can be derived. As action variables, the position x of a material particle and a scalar function η related to temperature are used. The material momentum for thermoelasticity is derived. Here, by contrast to the purely elastic case, the material momentum depends on a time interval rather than on an instant of time. The balance of material momentum is integrated over time to produce a relation reminiscent of the impulse-momentum equation in classical mechanics.


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