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Register a new userA Demonstration of Consistency between the Quantum Classical Liouville Equation and Berrys Phase and Curvature
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Although the quantum classical Liouville equation (QCLE) arises by cutting off the exact equation of motion for a coupled nuclear-electronic system at order 1 (1 = $hbar^0$ ), we show that the QCLE does include Berrys phase effects and Berrys forces (which are proportional to a higher order, $hbar$ = $hbar^1$ ). Thus, the fundamental equation underlying mixed quantum-classical dynamics does not need a correction for Berrys phase effects and is valid for the case of complex Hamiltonians. Furthermore, we also show that, even though Tullys surface hopping model ignores Berrys phase, Berrys phase effects are included automatically within Ehrenfest dynamics. These findings should be of great importance if we seek to model coupled nuclear-electronic dynamics for systems with spin-orbit coupling, where the complex nature of the Hamiltonian is paramount.
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We investigate two approaches to derive the proper Floquet-based quantum-classical Liouville equation (F-QCLE) for laser-driven electron-nuclear dynamics. The first approach projects the operator form of the standard QCLE onto the diabatic Floquet basis, then transforms to the adiabatic representation. The second approach directly projects the QCLE onto the Floquet adiabatic basis. Both approaches yield a form which is similar to the usual QCLE with two modifications: 1. The electronic degrees of freedom are expanded to infinite dimension. 2. The nuclear motion follows Floquet quasi-energy surfaces. However, the second approach includes an additional cross derivative force due to the dual dependence on time and nuclear motion of the Floquet adiabatic states. Our analysis and numerical tests indicate that this cross derivative force is a factitious artifact, suggesting that one cannot safely exchange the order of Floquet state projection with adiabatic transformation. Our results are in accord with similar findings by Izmaylov et al., who found that transforming to the adiabatic representation must always be the last operation applied, though now we have extended this result to a time-dependent Hamiltonian. This paper and the proper derivation of the F-QCLE should lay the basis for further improvements of Floquet surface hopping.
The geometric phase has been proposed as a candidate for noise resilient coherent manipulation of fragile quantum systems. Since it is determined only by the path of the quantum state, the presence of noise fluctuations affects the geometric phase in a different way than the dynamical phase. We have experimentally tested the robustness of Berrys geometric phase for spin-1/2 particles in a cyclically varying magnetic field. Using trapped polarized ultra-cold neutrons it is demonstrated that the geometric phase contributions to dephasing due to adiabatic field fluctuations vanish for long evolution times.
Recently the question of whether the D-Wave processors exhibit large-scale quantum behavior or can be described by a classical model has attracted significant interest. In this work we address this question by studying a 503 qubit D-Wave Two device in the black box model, i.e., by studying its input-output behavior. Our work generalizes an approach introduced in Boixo et al. [Nat. Commun. 4, 2067 (2013)], and uses groups of up to 20 qubits to realize a transverse Ising model evolution with a ground state degeneracy whose distribution acts as a sensitive probe that distinguishes classical and quantum models for the D-Wave device. Our findings rule out all classical models proposed to date for the device and provide evidence that an open system quantum dynamical description of the device that starts from a quantized energy level structure is well justified, even in the presence of relevant thermal excitations and a small value of the ratio of the single-qubit decoherence time to the annealing time.
In this note, we study Liouville type theorem for conformal Gaussian curvature equation (also called the mean field equation) $$ -Delta u=K(x)e^u, in R^2 $$ where $K(x)$ is a smooth function on $R^2$. When $K(x)=K(x_1)$ is a sign-changing smooth function in the real line $R$, we have a non-existence result for the finite total curvature solutions. When $K$ is monotone non-decreasing along every ray starting at origin, we can prove a non-existence result too. We use moving plane method and moving sphere method.
We present a preliminary extension of the fewest switches surface hopping (FSSH) algorithm to the case of complex Hamiltonians as appropriate for modeling the dynamics of photoexcited molecules in magnetic fields. We make ansatze for the direction of momentum rescaling and we account for Berrys phase effects through magnetic forces as applicable in the adiabatic limit. Because Berrys phase is a nonlocal, topological characteristic of a set of entangled potential energy surfaces, we find that Tullys local FSSH algorithm can only partially capture the correct physics.
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