Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation

We propose to measure nonadiabaticity of molecular quantum dynamics rigorously with the quantum fidelity between the Born-Oppenheimer and fully nonadiabatic dynamics. It is shown that this measure of nonadiabaticity applies in situations where other criteria, such as the energy gap criterion or the extent of population transfer, fail. We further propose to estimate this quantum fidelity efficiently with a generalization of the dephasing representation to multiple surfaces. Two variants of the multiple-surface dephasing representation (MSDR) are introduced, in which the nuclei are propagated either with the fewest-switches surface hopping (FSSH) or with the locally mean field dynamics (LMFD). The LMFD can be interpreted as the Ehrenfest dynamics of an ensemble of nuclear trajectories, and has been used previously in the nonadiabatic semiclassical initial value representation. In addition to propagating an ensemble of classical trajectories, the MSDR requires evaluating nonadiabatic couplings and solving the Schr\"{o}dinger (or more generally, the quantum Liouville-von Neumann) equation for a single discrete degree of freedom. The MSDR can be also used to measure the importance of other terms present in the molecular Hamiltonian, such as diabatic couplings, spin-orbit couplings, or couplings to external fields, and to evaluate the accuracy of quantum dynamics with an approximate nonadiabatic Hamiltonian. The method is tested on three model problems introduced by Tully, on a two-surface model of dissociation of NaI, and a three-surface model including spin-orbit interactions. An example is presented that demonstrates the importance of often-neglected second-order nonadiabatic couplings.Comment: 14 pages, 4 figures, submitted to J. Chem. Phy

Steady-state composition of a two-component gas bubble growing in a liquid solution: self-similar approach

The paper presents an analytical description of the growth of a two-component bubble in a binary liquid-gas solution. We obtain asymptotic self-similar time dependence of the bubble radius and analytical expressions for the non-steady profiles of dissolved gases around the bubble. We show that the necessary condition for the self-similar regime of bubble growth is the constant, steady-state composition of the bubble. The equation for the steady-state composition is obtained. We reveal the dependence of the steady-state composition on the solubility laws of the bubble components. Besides, the universal, independent from the solubility laws, expressions for the steady-state composition are obtained for the case of strong supersaturations, which are typical for the homogeneous nucleation of a bubble.Comment: 12 pages, 2 figure

Entanglement Entropy and Mutual Information Production Rates in Acoustic Black Holes

A method to investigate acoustic Hawking radiation is proposed, where entanglement entropy and mutual information are measured from the fluctuations of the number of particles. The rate of entropy radiated per one-dimensional (1D) channel is given by $\dot{S}=\kappa/12$, where $\kappa$ is the sound acceleration on the sonic horizon. This entropy production is accompanied by a corresponding formation of mutual information to ensure the overall conservation of information. The predictions are confirmed using an \emph{ab initio} analytical approach in transonic flows of 1D degenerate ideal Fermi fluids.Comment: 4 pages, 1 figure. Supplemental Material (pdf) included in the source of this manuscrip

Floquet analysis of the modulated two-mode Bose-Hubbard model

We study the tunneling dynamics in a time-periodically modulated two-mode Bose-Hubbard model using Floquet theory. We consider situations where the system is in the self-trapping regime and either the tunneling amplitude, the interaction strength, or the energy difference between the modes is modulated. In the former two cases, the tunneling is enhanced in a wide range of modulation frequencies, while in the latter case the resonance is narrow. We explain this difference with the help of Floquet analysis. If the modulation amplitude is weak, the locations of the resonances can be found using the spectrum of the non-modulated Hamiltonian. Furthermore, we use Floquet analysis to explain the coherent destruction of tunneling (CDT) occurring in a large-amplitude modulated system. Finally, we present two ways to create a NOON state (a superposition of $N$ particles in mode 1 with zero particles in mode 2 and vice versa). One is based on a coherent oscillation caused by detuning from a partial CDT. The other makes use of an adiabatic variation of the modulation frequency. This results in a Landau-Zener type of transition between the ground state and a NOON-like state.Comment: 16 pages, 11 figures; published in Phys. Rev.

Nuclear State Preparation via Landau-Zener-Stueckelberg transitions in Double Quantum Dots

We theoretically model a nuclear-state preparation scheme that increases the coherence time of a two-spin qubit in a double quantum dot. The two-electron system is tuned repeatedly across a singlet-triplet level-anticrossing with alternating slow and rapid sweeps of an external bias voltage. Using a Landau-Zener-Stueckelberg model, we find that in addition to a small nuclear polarization that weakly affects the electron spin coherence, the slow sweeps are only partially adiabatic and lead to a weak nuclear spin measurement and a nuclear-state narrowing which prolongs the electron spin coherence. This resolves some open problems brought up by a recent experiment [D. J. Reilly et al., Science 321, 817 (2008).]. Based on our description of the weak measurement, we simulate a system with up to n=200 nuclear spins per dot. Scaling in n indicates a stronger effect for larger n.Comment: 4.1 pages, 2 figure

Zero Lattice Sound

We study the N_f-flavor Gross-Neveu model in 2+1 dimensions with a baryon chemical potential mu, using both analytical and numerical methods. In particular, we study the self-consistent Boltzmann equation in the Fermi liquid framework using the quasiparticle interaction calculated to O(1/N_f), and find solutions for zero sound propagation for almost all mu > mu_c, the critical chemical potential for chiral symmetry restoration. Next we present results of a numerical lattice simulation, examining temporal correlation functions of mesons defined using a point-split interpolating operator, and finding evidence for phonon-like behaviour characterised by a linear dispersion relation in the long wavelength limit. We argue that our results provide the first evidence for a collective excitation in a lattice simulation.Comment: 18 pages, 6 figure

A General Information Theoretical Proof for the Second Law of Thermodynamics

We show that the conservation and the non-additivity of the information, together with the additivity of the entropy make the entropy increase in an isolated system. The collapse of the entangled quantum state offers an example of the information non-additivity. Nevertheless, the later is also true in other fields, in which the interaction information is important. Examples are classical statistical mechanics, social statistics and financial processes. The second law of thermodynamics is thus proven in its most general form. It is exactly true, not only in quantum and classical physics but also in other processes, in which the information is conservative and non-additive.Comment: 4 page

Magneto-elastic waves in crystals of magnetic molecules

We study magneto-elastic effects in crystals of magnetic molecules. Coupled equations of motion for spins and sound are derived and the possibility of strong resonant magneto-acoustic coupling is demonstrated. Dispersion laws for interacting linear sound and spin excitations are obtained for bulk and surface acoustic waves. We show that ultrasound can generate inverse population of spin levels. Alternatively, the decay of the inverse population of spin levels can generate ultrasound. Possibility of solitary waves of the magnetization accompanied by the elastic twists is demonstrated.Comment: 8 PR pages, 3 figure

On the conversion efficiency of ultracold fermionic atoms to bosonic molecules via Feshbach resonances

We explain why the experimental efficiency observed in the conversion of ultracold Fermi gases of $^{40}$K and $^{6}$Li atoms into diatomic Bose gases is limited to 0.5 when the Feshbach resonance sweep rate is sufficiently slow to pass adiabatically through the Landau Zener transition but faster than ``the collision rate'' in the gas, and increases beyond 0.5 when it is slower. The 0.5 efficiency limit is due to the preparation of a statistical mixture of two spin-states, required to enable s-wave scattering. By constructing the many-body state of the system we show that this preparation yields a mixture of even and odd parity pair-states, where only even parity can produce molecules. The odd parity spin-symmetric states must decorrelate before the constituent atoms can further Feshbach scatter thereby increasing the conversion efficiency; ``the collision rate'' is the pair decorrelation rate.Comment: 4 pages, 3 figures, final version accepted to Phys. Rev. Let