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Journal of Physics B Atomic Molecular and Optical Physics

Application of Dirac's generalized Hamiltonian dynamics to atomic and molecular systems

Eugene Oks, T. Uzer

Published Dec 19, 2001• 14 citations
Publisher

Abstract

Dirac's generalized Hamiltonian dynamics (GHD) is a purely classical formalism to describe mechanical systems with constraints, which it incorporates into the Hamiltonian. We show how quantization information can be included by choosing the integrals of motion as constraints, and demonstrate the construction of this novel classical Hamiltonian by applying GHD to electron motion in a hydrogenic atom.

DOI
10.1088/0953-4075/35/1/312

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Dirac’s Generalized Hamiltonian Dynamics (GHD) is a purely classical formalism for systems having constraints: it incorporates the constraints into the Hamiltonian. Dirac designed the GHD specifically for applications to quantum field theory. In one of our previous papers, we redesigned Dirac’s GHD for its applications to atomic and molecular physics by choosing integrals of the motion as the constraints. In that paper, after a general description of our formalism, we considered hydrogenic atoms as an example. We showed that this formalism leads to the existence of classical non-radiating (stationary) states and that there is an infinite number of such states—just as in the corresponding quantum solution. In the present paper, we extend the applications of the GHD to a charged Spherical Harmonic Oscillator (SHO). We demonstrate that, by using the higher-than-geometrical symmetry (i.e., the algebraic symmetry) of the SHO and the corresponding additional conserved quantities, it is possible to obtain the classical non-radiating (stationary) states of the SHO and that, generally speaking, there is an infinite number of such states of the SHO. Both the existence of the classical stationary states of the SHO and the infinite number of such states are consistent with the corresponding quantum results. We obtain these new results from first principles. Physically, the existence of the classical stationary states is the manifestation of a non-Einsteinian time dilation. Time dilates more and more as the energy of the system becomes closer and closer to the energy of the classical non-radiating state. We emphasize that the SHO and hydrogenic atoms are not the only microscopic systems that can be successfully treated by the GHD. All classical systems of N degrees of freedom have the algebraic symmetries ON+1 and SUN, and this does not depend on the functional form of the Hamiltonian. In particular, all classical spherically symmetric potentials have algebraic symmetries, namely O4 and SU3; they possess an additional vector integral of the motion, while the quantal counterpart-operator does not exist. This offers possibilities that are absent in quantum mechanics.

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Dirac's generalized Hamiltonian dynamics (GHD) is a purely classical formalism to describe mechanical systems with constraints, which it incorporates into the Hamiltonian. We show how quantization information can be included by choosing the integrals of motion as constraints, and demonstrate the construction of this novel classical Hamiltonian by applying GHD to electron motion in a hydrogenic atom.
Dirac’s Generalized Hamiltonian Dynamics (GHD) is a purely classical formalism for systems having constraints: it incorporates the constraints into the Hamiltonian. Dirac designed the GHD specifically for applications to quantum field theory. In one of our previous papers, we redesigned Dirac’s GHD for its applications to atomic and molecular physics by choosing integrals of the motion as the constraints. In that paper, after a general description of our formalism, we considered hydrogenic atoms as an example. We showed that this formalism leads to the existence of classical non-radiating (stationary) states and that there is an infinite number of such states—just as in the corresponding quantum solution. In the present paper, we extend the applications of the GHD to a charged Spherical Harmonic Oscillator (SHO). We demonstrate that, by using the higher-than-geometrical symmetry (i.e., the algebraic symmetry) of the SHO and the corresponding additional conserved quantities, it is possible to obtain the classical non-radiating (stationary) states of the SHO and that, generally speaking, there is an infinite number of such states of the SHO. Both the existence of the classical stationary states of the SHO and the infinite number of such states are consistent with the corresponding quantum results. We obtain these new results from first principles. Physically, the existence of the classical stationary states is the manifestation of a non-Einsteinian time dilation. Time dilates more and more as the energy of the system becomes closer and closer to the energy of the classical non-radiating state. We emphasize that the SHO and hydrogenic atoms are not the only microscopic systems that can be successfully treated by the GHD. All classical systems of N degrees of freedom have the algebraic symmetries ON+1 and SUN, and this does not depend on the functional form of the Hamiltonian. In particular, all classical spherically symmetric potentials have algebraic symmetries, namely O4 and SU3; they possess an additional vector integral of the motion, while the quantal counterpart-operator does not exist. This offers possibilities that are absent in quantum mechanics.
The concept of constrained Hamiltonian dynamical systems and their quantization, introduced by Dirac, constitutes one of the most fundamental contributions to the development of the canonical formalism in recent times. Dirac’s concepts were later incorporated into the path-integral formulation of quantum mechanics by Faddeev, which played an important role in understanding some subtle aspects in the quantization of non-Abelian gauge theory. An example is given from nonrelativistic quantum mechanics which illustrates the formalism through simple analogy.
We show that the equations of generalized hydrodynamics (GHD), a hydrodynamic theory for integrable quantum systems at the Euler scale, emerge in full generality in a family of classical gases, which generalize the gas of hard rods. In this family, the particles, upon colliding, jump forward or backward by a distance that depends on their velocities, reminiscent of classical soliton scattering. This provides a "molecular dynamics" for GHD: a numerical solver which is efficient, flexible, and which applies to the presence of external force fields. GHD also describes the hydrodynamics of classical soliton gases. We identify the GHD of any quantum model with that of the gas of its solitonlike wave packets, thus providing a remarkable quantum-classical equivalence. The theory is directly applicable, for instance, to integrable quantum chains and to the Lieb-Liniger model realized in cold-atom experiments.
Abstract Generalised hydrodynamics (GHD) describes the large-scale inhomogeneous dynamics of integrable (or close to integrable) systems in one dimension of space, based on a central equation for the fluid density or quasi-particle density: the GHD equation. We consider a new, general form of the GHD equation: we allow for spatially extended interaction kernels, generalising previous constructions. We show that the GHD equation, in our general form and hence also in its conventional form, is Hamiltonian. This holds also including force terms representing inhomogeneous external potentials coupled to conserved densities. To this end, we introduce a new Poisson bracket on functionals of the fluid density, which is seen as our dynamical field variable. The total energy is the Hamiltonian whose flow under this Poisson bracket generates the GHD equation. The fluid density depends on two (real and spectral) variables, and the GHD equation can be seen as a 2+12+12+1 2 + 1 -dimensional classical field theory. In its 1+11+11+1 1 + 1 -dimensional reduction corresponding to the case without external forces, we further show the system admits an infinite set of conserved quantities that are in involution for our Poisson bracket, hinting at integrability of this field theory.
The quantization process was always tightly connected to the Hamiltonian formulation of classical mechanics. For non-Hamiltonian systems, traditional quantization algorithms turn out to be unsuitable. Numerous attempts to quantize non-Hamiltonian systems have shown that this problem is nontrivial and requires the development of new approaches. In this paper, we present the quantization methods that do not depend upon the Hamiltonian formulation of classical mechanics. Two approaches to the quantization of mechanical systems are considered: axiomatic and hydrodynamic. It is shown that the formal application of these approaches to the classical Hamilton-Jacobi theory allows obtaining the wave equation for the corresponding quantum system in natural way. Examples are considered that show the effectiveness of the proposed approaches, both for Hamiltonian and non-Hamiltonian systems. The spinor form of the relativistic Hamilton-Jacobi theory for classical particles is considered. It is shown that it naturally leads to the Dirac equation for the corresponding quantum particle and to its non-Hamiltonian generalization, the bispinor relativistic Kostin equation.
Written for a two-semester graduate course in Quantum Mechanics, this comprehensive text helps develop the tools and formalism of Quantum Mechanics and its applications to physical systems. It suits students who have taken some introductory Quantum Mechanics and Modern Physics courses at undergraduate level, but it is self-contained and does not assume any specific background knowledge beyond appropriate fluency in mathematics. The text takes a modern logical approach rather than a historical one and it covers standard material, such as the hydrogen atom and the harmonic oscillator, the WKB approximations and Bohr-Sommerfeld quantization. Important modern topics and examples are also described, including Berry phase, quantum information, complexity and chaos, decoherence and thermalization, nonstandard statistics, as well as more advanced material such as path integrals, scattering theory, multiparticles and Fock space. Readers will gain a broad overview of Quantum Mechanics, as solid preparation for further study or research.