Abstract We show that the dynamics of a closed quantum system obeys the Hamilton variational principle. Even though quantum particles lack well-defined trajectories, their evolution in the Husimi representation can be treated as a flow of multidimensional probability fluid in the phase space. By introducing the classical counterpart of the Husimi representation in a close analogy to the Koopman–von Neumann theory, one can largely unify the formulations of classical and quantum dynamics. We prove that the motions of elementary parcels of both classical and quantum Husimi fluid obey the Hamilton variational principle, and the differences between associated action functionals stem from the differences between classical and quantum pure states. The Husimi action functionals are not unique and defined up to the Skodje flux gauge fixing (Skodje et al 1989 Phys. Rev. A 40 2894). We demonstrate that the gauge choice can dramatically alter flux trajectories. Applications of the presented theory for constructing semiclassical approximations and hybrid classical–quantum theories are discussed.
Abstract We show that the dynamics of a closed quantum system obeys the Hamilton variational principle. Even though quantum particles lack well-defined trajectories, their evolution in the Husimi representation can be treated as a flow of multidimensional probability fluid in the phase space. By introducing the classical counterpart of the Husimi representation in a close analogy to the Koopman–von Neumann theory, one can largely unify the formulations of classical and quantum dynamics. We prove that the motions of elementary parcels of both classical and quantum Husimi fluid obey the Hamilton variational principle, and the differences between associated action functionals stem from the differences between classical and quantum pure states. The Husimi action functionals are not unique and defined up to the Skodje flux gauge fixing (Skodje et al 1989 Phys. Rev. A 40 2894). We demonstrate that the gauge choice can dramatically alter flux trajectories. Applications of the presented theory for constructing semiclassical approximations and hybrid classical–quantum theories are discussed.
The family of trajectories-based approximations employed in computational quantum physics and chemistry is very diverse. For instance, Bohmian and Heller's frozen Gaussian semiclassical trajectories seem to have nothing in common. Based on a hydrodynamic analogy to quantum mechanics, we furnish the unified gauge theory of all such models. In the light of this theory, currently known methods are just a tip of the iceberg, and there exists an infinite family of yet unexplored trajectory-based approaches. Specifically, we show that each definition for a semiclassical trajectory corresponds to a specific hydrodynamic analogy, where a quantum system is mapped to an effective probability fluid in the phase space. We derive the continuity equation for the effective fluid representing dynamics of an arbitrary open bosonic many-body system. We show that unlike in conventional fluid, the flux of the effective fluid is defined up to Skodje's gauge [R. T. Skodje et. al. Phys. Rev. A 40, 2894 (1989)]. We prove that the Wigner, Husimi and Bohmian representations of quantum mechanics are particular cases of our generic hydrodynamic analogy, and all the differences among them reduce to the gauge choice. Infinitely many gauges are possible, each leading to a distinct quantum hydrodynamic analogy and a definition for semiclassical trajectories. We propose a scheme for identifying practically useful gauges and apply it to improve a semiclassical initial value representation employed in quantum many-body simulations.
I propose a new and direct connection between classical mechanics and quantum mechanics where I derive the quantum mechanical propagator from a variational principle. This variational principle is Hamilton's modified principle generalized to allow many paths due to the non-local existence of particles in phase space. This principle allows a physical system to evolve non-locally in phase space while still allowing a representation that uses many classical paths. Whereas a point in phase space represents a classical system's state, I represent the state of a non-local system by a mixed trajectory. This formulation naturally leads to the transactional interpretation for resolving the paradoxes of the measurement problem. This principle also suggests a more flexible framework for formulating theories based on invariant actions and provides a single conceptual framework for discussing many areas of science.
The hydrodynamic analogy for quantum mechanics is developed in a quantum phase-space representation. The key technical step in this development is the formulation of a phase-space flux (or current) density expression. Lagrangian fluid trajectories in phase space are explicitly found as solutions to a set of first-order ordinary differential equations which are formulated without making semiclassical approximation to the quantum dynamics. These fluid trajectories may be used to construct sharp structures in quantum phase space in the same way that one uses classical trajectories in classical mechanics. While these sharp structures do not themselves represent states, their properties ``control'' the dynamics of states in a manner familiar from the theory of first-order flows. The formalism reduces to Liouville dynamics in the classical limit, \ensuremath{\Elzxh}\ensuremath{\rightarrow}0. In addition to several analytic applications to the pure- and mixed-state dynamics, the approach is numerically implemented for tunneling dynamics in a double-well problem. A new picture for quantum tunneling emerges where the tunneling transport occurs when density spirals outward from one well along real-valued fluid trajectories and then into the other well. The tunneling is found to occur through localized portals, or ``flux gates'' in the phase space. We advocate the phase-space hydrodynamic model as a general tool to understand classical quantum correspondence.
A gauge-invariant wave equation for the dynamics of hybrid quantum–classical systems is formulated by combining the variational setting of Lagrangian paths in continuum theories with Koopman wavefunctions in classical mechanics. We identify gauge transformations with unobservable phase factors in the classical phase-space and we introduce gauge invariance in the variational principle underlying a hybrid wave equation previously proposed by the authors. While the original construction ensures a positive-definite quantum density matrix, the present model also guarantees the same property for the classical Liouville density. After a suitable wavefunction factorization, gauge invariance is achieved by resorting to the classical Lagrangian paths made available by the Madelung transform of Koopman wavefunctions. Due to the appearance of a phase-space analogue of the Berry connection, the new hybrid wave equation is highly nonlinear and it is proposed here as a platform for further developments in quantum–classical dynamics. Indeed, the associated model is Hamiltonian and appears to be the first to ensure a series of consistency properties beyond positivity of quantum and classical densities. For example, the model possesses a quantum–classical Poincaré integral invariant and its special cases include both the mean-field model and the Ehrenfest model from chemical physics.
In a previous article in this series [E. M. Corson, J. Math. Phys. 4, 42(1963); herein referred to as I], we showed that a new variational principle, of Lagrangian structure, includes Hamilton's principle as a unique derived consequent and encompasses both the classical and quantal definitions of ``state'' and the corresponding Lagrangian and Schrödinger equations of motion, respectively. In this theory, the essential difference between classical and quantal domains was shown to arise solely from the superadded postulates of determinism vs indeterminism; other than this, the two basic postulates may be reduced to (a) Newton's equations and (b) the new variation principle. It was shown that in the quantal domain, Schrödinger's equations obtain for the transition amplitudes (propagators) between pure eigenstates of homologous variables in configuration space, at different times, thus clearly implying all the results of conventional Hamiltonian-operator quantum formalism. In the present article we show that our variational formulation, under the familiar classical canonical transformation to momentum space, also automatically leads to the corresponding Schrödinger equations for the transition amplitudes between pure eigenstates of homologous variables in momentum space, at different times, the unitarity of the formalism and the reciprocal Fourier integral relations between coordinate and momentum representations. Thus we bridge a long-standing gap in theory and derive, uniquely and apparently for the first time, the basic quantum commutators (P.B.'s) which are postulated in the more familiar Hamiltonian theory.
We present a time evolution equation that provides a novel basis for the treatment of quantum systems in phase space and for the investigation of the quantum-classical correspondence. Through the use of a generalized Husimi transform, we obtain a phase space representation of the time-dependent Schrödinger equation directly from the coordinate representation. Such an equation governs the time evolution of densities such as the Husimi density entirely in phase space, without recourse to a coordinate or momentum representation. As an application of the phase-space Schrödinger equation, we compute the eigenfunctions of the harmonic oscillator in phase space, relate these to the Husimi transform of coordinate representation eigenstates, and investigate the coherent state, its time evolution, and classical limit (ℏ→0) for the probability density generated by this state. Finally, we discuss our results as they relate to the quantum-classical correspondence, and quasiclassical trajectory simulations of quantum dynamics.