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arXiv:quant-ph/0407042 · Physical Review C

Exact and approximate many-body dynamics with stochastic one-body density matrix evolution

Denis Lacroix A

Published Jun 30, 2005• 4 citations
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Abstract

We show that the dynamics of interacting fermions can be exactly replaced by a quantum jump theory in the many-body density matrix space. In this theory, jumps occur between densities formed of pairs of Slater determinants, ${D}_{\mathit{ab}}=|{\ensuremath{\Phi}}_{a}\ensuremath{\rangle}\ensuremath{\langle}{\ensuremath{\Phi}}_{b}|$, where each state evolves according to the stochastic Schr\"odinger equation given by O. Juillet and Ph. Chomaz [Phys. Rev. Lett. 88, 142503 (2002)]. A stochastic Liouville-von Neumann equation is derived as well as the associated. Bogolyubov-Born-Green-Kirwood-Yvon hierarchy. Due to the specific form of the many-body density along the path, the presented theory is equivalent to a stochastic theory in one-body density matrix space, in which each density matrix evolves according to its own mean-field augmented by a one-body noise. Guided by the exact reformulation, a stochastic mean-field dynamics valid in the weak coupling approximation is proposed. This theory leads to an approximate treatment of two-body effects similar to the extended time-dependent Hartree-Fock scheme. In this stochastic mean-field dynamics, statistical mixing can be directly considered and jumps occur on a coarse-grained time scale. Accordingly, numerical effort is expected to be significantly reduced for applications.

DOI
10.1103/physrevc.71.064322

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We show that the dynamics of interacting fermions can be exactly replaced by a quantum jump theory in the many-body density matrix space. In this theory, jumps occur between densities formed of pairs of Slater determinants, Dab=∣\ensuremathΦa\ensuremath⟩\ensuremath⟨\ensuremathΦb∣{D}_{\mathit{ab}}=|{\ensuremath{\Phi}}_{a}\ensuremath{\rangle}\ensuremath{\langle}{\ensuremath{\Phi}}_{b}|Dab​=∣\ensuremathΦa​\ensuremath⟩\ensuremath⟨\ensuremathΦb​∣, where each state evolves according to the stochastic Schr"odinger equation given by O. Juillet and Ph. Chomaz [Phys. Rev. Lett. 88, 142503 (2002)]. A stochastic Liouville-von Neumann equation is derived as well as the associated. Bogolyubov-Born-Green-Kirwood-Yvon hierarchy. Due to the specific form of the many-body density along the path, the presented theory is equivalent to a stochastic theory in one-body density matrix space, in which each density matrix evolves according to its own mean-field augmented by a one-body noise. Guided by the exact reformulation, a stochastic mean-field dynamics valid in the weak coupling approximation is proposed. This theory leads to an approximate treatment of two-body effects similar to the extended time-dependent Hartree-Fock scheme. In this stochastic mean-field dynamics, statistical mixing can be directly considered and jumps occur on a coarse-grained time scale. Accordingly, numerical effort is expected to be significantly reduced for applications.
Assuming that the effect of the residual interaction beyond the mean field is weak and has a short memory time, two approximate treatments of correlation in fermionic systems by means of the Markovian quantum jump are presented. A simplified scenario for the introduction of fluctuations beyond the mean field is presented first. In this theory, part of the quantum correlations between the residual interaction and the one-body density matrix are neglected and jumps occur between many-body densities formed of pairs of states $D=|{\ensuremath{\Phi}}_{a}\ensuremath{\rangle}\ensuremath{\langle}{\ensuremath{\Phi}}_{b}|/\ensuremath{\langle}{\ensuremath{\Phi}}_{b}|{\ensuremath{\Phi}}_{a}\ensuremath{\rangle}$, where $|{\ensuremath{\Phi}}_{a}\ensuremath{\rangle}$ and $|{\ensuremath{\Phi}}_{b}\ensuremath{\rangle}$ are antisymmetrized products of single-particle states. The underlying stochastic mean-field theory is discussed and is applied to the monopole vibration of a spherical 40Ca^{40}\mathrm{Ca}40Ca nucleus under the influence of a statistical ensemble of two-body contact interactions. This framework is however too simplistic to account for both fluctuation and dissipation. In the second part of this work, an alternative quantum jump method is obtained without making the approximation on quantum correlations. By restricting to two-particle--two-hole residual interactions, the evolution of the one-body density matrix of a correlated system is transformed into a Lindblad equation. The associated dissipative dynamics can be simulated by quantum jumps between densities written as $D=|\ensuremath{\Phi}\ensuremath{\rangle}\ensuremath{\langle}\ensuremath{\Phi}|$, where $|\ensuremath{\Phi}\ensuremath{\rangle}$ is a normalized Slater determinant. The associated stochastic Schr\"odinger equation for single-particle wave functions is given.
We investigate a reformulation of the dynamics of interacting fermion systems in terms of a stochastic extension of time-dependent Hartree-Fock equations. From a path-integral representation of the evolution operator, we show that the exact N-body state can be interpreted as a coherent average over Slater determinants evolving in a random mean-field. The imaginary time propagation is also presented and gives a similar scheme which converges to the exact ground state. In addition, the growth of statistical errors is examined to show the stability of this stochastic formulation.
The time-dependent fermionic Hartree-Fock equations can be stochastically extended in such a way as to become the exact representation of quantum dynamics. This fact was first observed in the work of Juillet and Chomaz [Phys. Rev. Lett. 88, 142503 (2002)]. During the past decade, this observation has led to the emergence of a whole family of stochastic wave-function methods for fermions. The common feature of all these methods is that they are based on the expansion of the density operator over the dyadic product of the two fermionic Slater determinant states. In this work, we develop a unified and rigorous foundation for this family of methods. We find a general form of stochastic equations and describe the sufficient conditions under which these methods converge towards exact quantum dynamics. To achieve these goals, we employ the representation of quantum dynamics in generalized phase space. In particular, we consider the quasiprobability distributions which emerge in these stochastic methods and their master equations. It is shown that the convergence towards exact quantum dynamics is controlled by the problem of boundary terms. We provide an example of stochastic Hartree-Fock method which is well-defined and free from this problem.
A Gaussian operator representation for the many-body density matrix of fermionic systems, developed by Corney and Drummond [Phys. Rev. Lett. 93, 260401 (2004)], is used to derive approximate decoupling schemes for their dynamics. In this approach the reduced single electron density-matrix elements serve as stochastic variables which satisfy an exact Fokker-Planck equation. The number of variables scales as $\ensuremath{\sim}{N}^{2}$ rather than $\ensuremath{\sim}\text{exp}(N)$ with the basis set size, and the time-dependent Hartree-Fock approximation (TDHF) is recovered in the ``classical'' limit. An approximate closed set of equations of motion for the one- and two-particle reduced density matrices provides a direct generalization of the TDHF.
The exact evolution of a system coupled to a complex environment can be described by a stochastic mean-field evolution of the reduced system density. The formalism developed in Ref. [D.Lacroix, Phys. Rev. E77, 041126 (2008)] is illustrated in the Caldeira-Leggett model where a harmonic oscillator is coupled to a bath of harmonic oscillators. Similar exact reformulation could be used to extend mean-field transport theories in Many-body systems and incorporate two-body correlations beyond the mean-field one. The connection between open quantum system and closed many-body problem is discussed.
In this article, we show that the exact two-body problem can be replaced by quantum jumps between densities written as $D=| Ψ_a \right> \left< Ψ_b |$ where $| Ψ_a \right>$ and $| Ψ_b \right>$ are vacuum for different quasi-particles operators. It is shown that the stochastic process can be written as a Stochastic Time-Dependent Hartree-Fock Bogoliubov theory (Stochastic TDHFB) for the generalized density R{\cal R}R associated to DDD where R2=R{\cal R}^2 = {\cal R}R2=R along each stochastic trajectory.