Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Annual reports in computational chemistry

Quantization of Hamilton's equations and the classical phase space density

Kyle K. G. Smith, David A. Dixon

Published Jan 1, 2020• 0 citations
Publisher
DOI
10.1016/bs.arcc.2020.07.002

Related papers

A PHASE SPACE FORMULATION OF QUANTUM STATE FUNCTIONS

Y. Sobouti, S. Nasiri

Allowing for virtual paths in phase space permits an extension of Hamilton’s principle of least action, of lagrangians and of hamiltonians to phase space. A subsequent canonical quantization, then, provides a framework for quantum statistical mechanics. The classical statistical mechanics and the conventional quantum mechanics emerge as special case of this formalism. Von Neumann’s density matrix may be inferred from it. Wigner’s functions and their evolution equation may also be obtained by a unitary transformation.

International Journal of Modern Physics B•Aug 15, 1993•19 citations

Classical limit and quantization of hamiltonian systems

V. Ceauşescu, Andrei H Gheorghe

Lecture notes in physics•Jan 1, 1987•11 citations

Semiclassical theory and the Koopman-van Hove equation *

Ilon Joseph

Abstract The phase space Koopman-van Hove (KvH) equation can be derived from the asymptotic semiclassical analysis of partial differential equations. Semiclassical theory yields the Hamilton–Jacobi equation for the complex phase factor and the transport equation for the amplitude. These two equations can be combined to form a nonlinear semiclassical version of the KvH equation in configuration space. There is a natural injection of configuration space solutions into phase space and a natural projection of phase space solutions onto configuration space. Hence, every solution of the configuration space KvH equation satisfies both the semiclassical phase space KvH equation and the Hamilton–Jacobi constraint. For configuration space solutions, this constraint resolves the paradox that there are two different conserved densities in phase space. For integrable systems, the KvH spectrum is the Cartesian product of a classical and a semiclassical spectrum. If the classical spectrum is eliminated, then, with the correct choice of Jeffreys–Wentzel–Kramers–Brillouin (JWKB) matching conditions, the semiclassical spectrum satisfies the Einstein–Brillouin–Keller quantization conditions which include the correction due to the Maslov index. However, semiclassical analysis uses different choices for boundary conditions, continuity requirements, and the domain of definition. For example, use of the complex JWKB method allows for the treatment of tunneling through the complexification of phase space. Finally, although KvH wavefunctions include the possibility of interference effects, interference is not observable when all observables are approximated as local operators on phase space. Observing interference effects requires consideration of nonlocal operations, e.g. through higher orders in the asymptotic theory.

arXiv:2306.01865•Journal of Physics A Mathematical and Theoretical•Oct 19, 2023•6 citations

Quantization in Hamiltonian particle mechanics

Ebbe Thue Poulsen

Lecture notes in mathematics•Jan 1, 1974•1 citation

Quantum mechanics and classical trajectories

Christoph Nölle

The classical limit $\hbar$->0 of quantum mechanics is known to be delicate, in particular there seems to be no simple derivation of the classical Hamilton equation, starting from the Schrödinger equation. In this paper I elaborate on an idea of M. Reuter to represent wave functions by parallel sections of a flat vector bundle over phase space, using the connection of Fedosov's construction of deformation quantization. This generalizes the ordinary Schrödinger representation, and allows naturally for a description of quantum states in terms of a curve plus a wave function. Hamilton's equation arises in this context as a condition on the curve, ensuring the dynamics to split into a classical and a quantum part.

arXiv:1005.3786•May 20, 2010•1 citation

The quantization of the Hamiltonian in curved space

J. M. Domingos, Maria Helena Caldeira

Foundations of Physics•Jul 1, 1984•4 citations
Allowing for virtual paths in phase space permits an extension of Hamilton’s principle of least action, of lagrangians and of hamiltonians to phase space. A subsequent canonical quantization, then, provides a framework for quantum statistical mechanics. The classical statistical mechanics and the conventional quantum mechanics emerge as special case of this formalism. Von Neumann’s density matrix may be inferred from it. Wigner’s functions and their evolution equation may also be obtained by a unitary transformation.
Abstract The phase space Koopman-van Hove (KvH) equation can be derived from the asymptotic semiclassical analysis of partial differential equations. Semiclassical theory yields the Hamilton–Jacobi equation for the complex phase factor and the transport equation for the amplitude. These two equations can be combined to form a nonlinear semiclassical version of the KvH equation in configuration space. There is a natural injection of configuration space solutions into phase space and a natural projection of phase space solutions onto configuration space. Hence, every solution of the configuration space KvH equation satisfies both the semiclassical phase space KvH equation and the Hamilton–Jacobi constraint. For configuration space solutions, this constraint resolves the paradox that there are two different conserved densities in phase space. For integrable systems, the KvH spectrum is the Cartesian product of a classical and a semiclassical spectrum. If the classical spectrum is eliminated, then, with the correct choice of Jeffreys–Wentzel–Kramers–Brillouin (JWKB) matching conditions, the semiclassical spectrum satisfies the Einstein–Brillouin–Keller quantization conditions which include the correction due to the Maslov index. However, semiclassical analysis uses different choices for boundary conditions, continuity requirements, and the domain of definition. For example, use of the complex JWKB method allows for the treatment of tunneling through the complexification of phase space. Finally, although KvH wavefunctions include the possibility of interference effects, interference is not observable when all observables are approximated as local operators on phase space. Observing interference effects requires consideration of nonlocal operations, e.g. through higher orders in the asymptotic theory.
The classical limit ℏ\hbarℏ->0 of quantum mechanics is known to be delicate, in particular there seems to be no simple derivation of the classical Hamilton equation, starting from the Schrödinger equation. In this paper I elaborate on an idea of M. Reuter to represent wave functions by parallel sections of a flat vector bundle over phase space, using the connection of Fedosov's construction of deformation quantization. This generalizes the ordinary Schrödinger representation, and allows naturally for a description of quantum states in terms of a curve plus a wave function. Hamilton's equation arises in this context as a condition on the curve, ensuring the dynamics to split into a classical and a quantum part.