Decoherence in a quantum harmonic oscillator monitored by a Bose-Einstein condensate

We investigate the dynamics of a quantum oscillator, whose evolution is monitored by a Bose-Einstein condensate (BEC) trapped in a symmetric double well potential. It is demonstrated that the oscillator may experience various degrees of decoherence depending on the variable being measured and the state in which the BEC is prepared. These range from a `coherent' regime in which only the variances of the oscillator position and momentum are affected by measurement, to a slow (power law) or rapid (Gaussian) decoherence of the mean values themselves.Comment: 4 pages, 3 figures, lette

Explicit solution for a Gaussian wave packet impinging on a square barrier

The collision of a quantum Gaussian wave packet with a square barrier is solved explicitly in terms of known functions. The obtained formula is suitable for performing fast calculations or asymptotic analysis. It also provides physical insight since the description of different regimes and collision phenomena typically requires only some of the terms.Comment: To be published in J. Phys.

Reduced dimensionality spin-orbit dynamics of CH3 + HCl reversible arrow CH4 Cl on ab initio surfaces

A reduced dimensionality quantum scattering method is extended to the study of spin-orbit nonadiabatic transitions in the CH3 + HCl reversible arrow CH4 + Cl(P-2(J)) reaction. Three two-dimensional potential energy surfaces are developed by fitting a 29 parameter double-Morse function to CCSD(T)/IB//MP2/cc-pV(T+d)Z-dk ab initio data; interaction between surfaces is described by geometry-dependent spin-orbit coupling functions fit to MCSCF/cc-pV(T+d)Z-dk ab initio data. Spectator modes are treated adiabatically via inclusion of curvilinear projected frequencies. The total scattering wave function is expanded in a vibronic basis set and close-coupled equations are solved via R-matrix propagation. Ground state thermal rate constants for forward and reverse reactions agree well with experiment. Multi-surface reaction probabilities, integral cross sections, and initial-state selected branching ratios all highlight the importance of vibrational energy in mediating nonadiabatic transition. Electronically excited state dynamics are seen to play a small but significant role as consistent with experimental conclusions. (C) 2011 American Institute of Physics. [doi:10.1063/1.3592732

Time scale of forerunners in quantum tunneling

The forerunners preceding the main tunneling signal of the wave created by a source with a sharp onset or by a quantum shutter, have been generally associated with over-the-barrier (non-tunneling) components. We demonstrate that, while this association is true for distances which are larger than the penetration lenght, for smaller distances the forerunner is dominated by under-the-barrier components. We find that its characteristic arrival time is inversely proportional to the difference between the barrier energy and the incidence energy, a tunneling time scale different from both the phase time and the B\"uttiker-Landauer (BL) time.Comment: Revtex4, 14 eps figure

The k-j-j′ vector correlation in inelastic and reactive scattering

Quasi-classical trajectory (QCT) methods are presented which allow characterization of the angular momentum depolarization of the products of inelastic and reactive scattering. The particular emphasis of the theory is on three-vector correlations, and on the connection with the two-vector correlation between the initial and final angular momenta, j and j′, which is amenable to experimental measurement. The formal classical theory is presented, and computational results for NO(A) + He are used to illustrate the type of mechanistic information provided by analysis of the two- and three-vector correlations. The classical j-j′ two-vector correlation results are compared with quantum mechanical calculations, and are shown to be in good agreement. The data for NO(A) + He support previous conclusions [M. Brouard, H. Chadwick, Y.-P. Chang, R. Cireasa, C. J. Eyles, A. O. L. Via, N. Screen, F. J. Aoiz, and J. Kos, J. Chem. Phys. 131, 104307 (2009)]10.1063/1.3212608 that this system is only weakly depolarizing. Furthermore, it is shown that the projection of j along the kinematic apse is nearly conserved for this system under thermal collision energy conditions. © 2011 American Institute of Physics

Ab Initio studies of the interaction potential for the Xe–NO(X 2Π) van der Waals complex: Bound states and fully quantum and quasi-classical scattering

Adiabatic potential energy surfaces for the ground electronic state of the Xe⋅⋅⋅NO(X(2)Π) van der Waals complex have been calculated using the spin-restricted coupled cluster method with single, double, and non-iterative triple excitations (RCCSD(T)). The scalar relativistic effects present in the Xe atom were included by an effective core potential and we extended the basis with bond functions to improve the description of the dispersion interaction. It has been found that the global minimum on the A(') adiabatic surface occurs at a T-shaped geometry with γ(e) = 94° and R(e) = 7.46 a(0), and with well depth of D(e) = 148.68 cm(-1). There is also an additional local minimum for the collinear geometry Xe-NO with a well depth of 104.5 cm(-1). The adiabat of A('') symmetry exhibits a single minimum at a distance R(e) = 7.68 a(0) and has a skewed geometry with γ(e) = 64° and a well depth of 148.23 cm(-1). Several C(nl) van der Waals dispersion coefficients are also estimated, of which C(6, 0) and C(6, 2) are in a reasonable agreement with previous theoretical results obtained by Nielson et al. [J. Chem. Phys. 64, 2055 (1976)]. The new potential energy surfaces were used to calculate bound states of the complex for total angular momentum quantum numbers up to J = 7/2. The ground state energy of Xe⋅⋅⋅NO(X(2)Π) is D(0) = 117 cm(-1), which matches the experimental value very accurately (within 3.3%). Scattering calculations of integral and differential cross sections have also been performed using fully quantum close coupling calculations and quasi-classical trajectory method at a collision energy of 63 meV. These calculations reveal the important role played by L-type rainbows in the scattering dynamics of the heavier Rg-NO(X) systems

Quantum-wave evolution in a step potential barrier

By using an exact solution to the time-dependent Schr\"{o}dinger equation with a point source initial condition, we investigate both the time and spatial dependence of quantum waves in a step potential barrier. We find that for a source with energy below the barrier height, and for distances larger than the penetration length, the probability density exhibits a {\it forerunner} associated with a non-tunneling process, which propagates in space at exactly the semiclassical group velocity. We show that the time of arrival of the maximum of the {\it forerunner} at a given fixed position inside the potential is exactly the traversal time, $\tau$. We also show that the spatial evolution of this transient pulse exhibits an invariant behavior under a rescaling process. This analytic property is used to characterize the evolution of the {\it forerunner}, and to analyze the role played by the time of arrival, $3^{-1/2}\tau$, found recently by Muga and B\"{u}ttiker [Phys. Rev. A {\bf 62}, 023808 (2000)].Comment: To be published in Phys. Rev. A (2002

Delay time and tunneling transient phenomena

Analytic solutions to the time-dependent Schr\"odinger equation for cutoff wave initial conditions are used to investigate the time evolution of the transmitted probability density for tunneling. For a broad range of values of the potential barrier opacity $\alpha$, we find that the probability density exhibits two evolving structures. One refers to the propagation of a {\it forerunner} related to a {\it time domain resonance} [Phys. Rev. A {\bf 64}, 0121907 (2001)], while the other consists of a semiclassical propagating wavefront. We find a regime where the {\it forerunners} are absent, corresponding to positive {\it time delays}, and show that this regime is characterized by opacities $\alpha < \alpha_c$. The critical opacity $\alpha_c$ is derived from the analytical expression for the {\it delay time}, that reflects a link between transient effects in tunneling and the {\it delay time}Comment: To be published in Physical Review

Collisional angular momentum depolarization of OH(A) and NO(A) by Ar: A comparison of mechanisms

This paper discusses the contrasting mechanisms of collisional angular momentum depolarization of OH(A(2)Σ(+)) and NO(A(2)Σ(+)) by Ar. New experimental results are presented for the collisional depolarization of OH(A) + Ar under both thermal and superthermal collision conditions, including cross sections for loss of both angular momentum orientation and alignment. Previous work on the two systems is summarized. It is shown that NO(A) + Ar depolarization is dominated by impulsive events in which the projection of the angular momentum, j, along the kinematic apse, a, is nearly conserved, and in which the majority of the trajectories can be described as "nearside." By contrast, at the relatively low collision energies sampled at 300 K, OH(A) + Ar depolarization is dominated by attractive collisions, which show a preponderance of "farside" trajectories. There is also evidence for very long-lived, complex type trajectories in which OH(A) and Ar orbit each other for several rotational periods prior to separation. Nevertheless, there is still a clear preference for conservation of the projection of j along the kinematic apse for both elastic and inelastic collisions. Experimental and theoretical results reveal that, as the collision energy is raised, the depolarization of OH(A) by Ar becomes more impulsive-like in nature