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Grassmann variables and pseudoclassical Nuclear Magnetic Resonance

Robin A. Damion

Published Dec 31, 2016• 0 citations
OpenAlex

Abstract

The concept of a propagator is useful and is a well-known object in diffusion NMR experiments. Here, we investigate the related concept; the propagator for the magnetization or the Green's function of the Torrey-Bloch equations. The magnetization propagator is constructed by defining functions such as the Hamiltonian and Lagrangian and using these to define a path integral. It is shown that the equations of motion derived from the La-grangian produce complex-valued trajectories (classical paths) and it is conjectured that the end-points of these trajectories are real-valued. The complex nature of the trajectories also suggests that the spin degrees of freedom are also encoded into the trajectories and this idea is explored by explicitly modeling the spin or precessing magnetization by anticommuting Grassmann variables. A pseudoclassical Lagrangian is constructed by combining the dif-fusive (bosonic) Lagrangian with the Grassmann (fermionic) Lagrangian, and performing the path integral over the Grassmann variables recovers the original Lagrangian that was used in the construction of the propagator for the magnetization. The trajectories of the pseudoclassical model also provide some insight into the nature of the end-points.

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Grassmann variables and pseudoclassical Nuclear Magnetic Resonance

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The concept of a propagator is useful and is a well-known object in diffusion NMR experiments. Here, we investigate the related concept; the propagator for the magnetization or the Green’s function of the Torrey-Bloch equations. The magnetization propagator is constructed by defining functions such as the Hamiltonian and Lagrangian and using these to define a path integral. It is shown that the equations of motion derived from the Lagrangian produce complex-valued trajectories (classical paths) and it is conjectured that the end-points of these trajectories are real-valued. The complex nature of the trajectories also suggests that the spin degrees of freedom are also encoded into the trajectories and this idea is explored by explicitly modeling the spin or precessing magnetization by anticommuting Grassmann variables. A pseudoclassical Lagrangian is constructed by combining the diffusive (bosonic) Lagrangian with the Grassmann (fermionic) Lagrangian, and performing the path integral over the Grassmann variables recovers the original Lagrangian that was used in the construction of the propagator for the magnetization. The trajectories of the pseudoclassical model also provide some insight into the nature of the end-points.

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The concept of a propagator is useful and is a well-known object in diffusion NMR experiments. Here, we investigate the related concept; the propagator for the magnetization or the Green's function of the Torrey-Bloch equations. The magnetization propagator is constructed by defining functions such as the Hamiltonian and Lagrangian and using these to define a path integral. It is shown that the equations of motion derived from the La-grangian produce complex-valued trajectories (classical paths) and it is conjectured that the end-points of these trajectories are real-valued. The complex nature of the trajectories also suggests that the spin degrees of freedom are also encoded into the trajectories and this idea is explored by explicitly modeling the spin or precessing magnetization by anticommuting Grassmann variables. A pseudoclassical Lagrangian is constructed by combining the dif-fusive (bosonic) Lagrangian with the Grassmann (fermionic) Lagrangian, and performing the path integral over the Grassmann variables recovers the original Lagrangian that was used in the construction of the propagator for the magnetization. The trajectories of the pseudoclassical model also provide some insight into the nature of the end-points.
The concept of a propagator is useful and is a well-known object in diffusion NMR experiments. Here, we investigate the related concept; the propagator for the magnetization or the Green’s function of the Torrey-Bloch equations. The magnetization propagator is constructed by defining functions such as the Hamiltonian and Lagrangian and using these to define a path integral. It is shown that the equations of motion derived from the Lagrangian produce complex-valued trajectories (classical paths) and it is conjectured that the end-points of these trajectories are real-valued. The complex nature of the trajectories also suggests that the spin degrees of freedom are also encoded into the trajectories and this idea is explored by explicitly modeling the spin or precessing magnetization by anticommuting Grassmann variables. A pseudoclassical Lagrangian is constructed by combining the diffusive (bosonic) Lagrangian with the Grassmann (fermionic) Lagrangian, and performing the path integral over the Grassmann variables recovers the original Lagrangian that was used in the construction of the propagator for the magnetization. The trajectories of the pseudoclassical model also provide some insight into the nature of the end-points.
The concept of a propagator is useful and is a well-known object in diffusion NMR experiments. Here, we investigate the related concept; the propagator for the magnetisation or the Green's function of the Torrey-Bloch equations. The magnetisation propagator is constructed by defining functions such as the Hamiltonian and Lagrangian and using these to define a path integral. It is shown that the equations of motion derived from the Lagrangian produce complex-valued trajectories (classical paths) and it is conjectured that the end-points of these trajectories are real-valued. The complex nature of the trajectories also suggests that the spin degrees of freedom are also encoded into the trajectories and this idea is explored by explicitly modeling the spin or precessing magnetisation by anticommuting Grassmann variables. A pseudoclassical Lagrangian is constructed by combining the diffusive (bosonic) Lagrangian with the Grassmann (fermionic) Lagrangian, and performing the path integral over the Grassmann variables recovers the original Lagrangian that was used in the construction of the propagator for the magnetisation. The trajectories of the pseudoclassical model also provide some insight into the nature of the end-points.
Abstract We present a rigorous derivation of a semiclas-sical propagator for anticommuting (fermionic) degrees of freedom, starting from an exact representation in terms of Grassmann variables. As a key feature of our approach the anticommuting variables are integrated out exactly, and an exact path integral representation of the fermionic propaga-tor in terms of commuting variables is constructed. Since our approach is not based on auxiliary (Hubbard-Stratonovich) fields, it surpasses the calculation of fermionic determinants yielding a standard form D [ψ,ψ∗]eiR[ψ,ψ∗] with real ac-tions for the propagator. These two features allow us to pro-vide a rigorous definition of the classical limit of interacting fermionic fields and therefore to achieve the long-standing goal of a theoretically sound construction of a semiclassical van Vleck-Gutzwiller propagator in fermionic Fock space. As an application, we use our propagator to investigate how the different universality classes (orthogonal, unitary and symplectic) affect generic many-body interference effects in the transition probabilities between Fock states of interact-ing fermionic systems.
Abstract An interacting spin system is investigated within the scenario of the Feynman path integral representation of quantum mechanics. Short‐time propagator algorithms and a discrete time formalism are used in combination with a basis set involving Grassmann variables coherent states to get a many‐body analytic propagator. The generating function thus obtained leads, after an adequate tracing over Grassmann variables in the imaginary time domain, to the partition function. A spin 1/2 Hamiltonian involving the whole set of interactions is considered. Fermion operators satisfying the standard anticommutation relations are constructed from the raising and lowering spin operators via the Jordan–Wigner transformation. The partition function obtained is more general than the partition function of the traditional Ising model involving only first‐neighbor interactions. Computations were performed assuming that the coupling as a function of the distance can be reasonably well represented by an Airy function. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002
A variation to the usual formulation of Grassmann representation path integrals is presented. Time-indexed anticommuting partners are introduced for each Grassmann coherent state variable and a general method for handling the effect of these introduced Grassmann partners is also developed. These Grassmann partners carry the nilpotency and anticommutivity of the Grassmann coherent state variables into the propagator and allow the propagator to be written as a path integral. Two examples are introduced in which this variation is shown to yield exact results. In particular, exact results are demonstratated for a spin-1/2 in a time-dependent magnetic field, and for a spin-boson system. The stationary path approximation is then shown to be exact for each example.