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Register a new userWavePacket: A Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations
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WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schrodinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry.The graphical capabilities allow visualization of quantum dynamics on the fly, including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry.The present Part I deals with the description of closed quantum systems in terms of Schrodinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization.The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics.The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found.
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WavePacket is an open-source program package for numeric simulations in quantum dynamics. It can solve time-independent or time-dependent linear Schrodinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows, e.g., to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semi-classical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. Being highly versatile and offering visualization of quantum dynamics on the fly, WavePacket is well suited for teaching or research projects in atomic, molecular and optical physics as well as in physical or theoretical chemistry. Building on the previous Part I which dealt with closed quantum systems and discrete variable representations, the present Part II focuses on the dynamics of open quantum systems, with Lindblad operators modeling dissipation and dephasing. This part also describes the WavePacket function for optimal control of quantum dynamics, building on rapid monotonically convergent iteration methods. Furthermore, two different approaches to dimension reduction implemented in WavePacket are documented here. In the first one, a balancing transformation based on the concepts of controllability and observability Gramians is used to identify states that are neither well controllable nor well observable. Those states are either truncated or averaged out. In the other approach, the H2-error for a given reduced dimensionality is minimized by H2 optimal model reduction techniques, utilizing a bilinear iterative rational Krylov algorithm.
WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt with quantum dynamics of closed and open systems, respectively, the present Part III adds fully classical and mixed quantum-classical propagations to WavePacket. In those simulations classical phase-space densities are sampled by trajectories which follow (diabatic or adiabatic) potential energy surfaces. In the vicinity of (genuine or avoided) intersections of those surfaces trajectories may switch between surfaces. To model these transitions, two classes of stochastic algorithms have been implemented: (1) J. C. Tullys fewest switches surface hopping and (2) Landau-Zener based single switch surface hopping. The latter one offers the advantage of being based on adiabatic energy gaps only, thus not requiring non-adiabatic coupling information any more. The present work describes the MATLAB version of WavePacket 6.0.2 which is essentially an object-oriented rewrite of previo
The quantum walk has emerged recently as a paradigmatic process for the dynamic simulation of complex quantum systems, entanglement production and quantum computation. Hitherto, photonic implementations of quantum walks have mainly been based on multi-path interferometric schemes in real space. Here, we report the experimental realization of a discrete quantum walk taking place in the orbital angular momentum space of light, both for a single photon and for two simultaneous photons. In contrast to previous implementations, the whole process develops in a single light beam, with no need of interferometers; it requires optical resources scaling linearly with the number of steps; and it allows flexible control of input and output superposition states. Exploiting the latter property, we explored the system band structure in momentum space and the associated spin-orbit topological features by simulating the quantum dynamics of Gaussian wavepackets. Our demonstration introduces a novel versatile photonic platform for quantum simulations.
Quantum sensing employs quantum resources of a sensor to attain a smaller estimation error of physical quantities than the limit constrained by classical physics. To measure a quantum reservoir, which is significant in decoherence control, a nonunitary-encoding sensing scheme becomes necessary. However, previous studies showed that the reservoir-induced degradation to quantum resources of the sensor makes the errors divergent with the increase of encoding time. We here propose a scheme to use $N$ two-level systems as the sensor to measure a quantum reservoir. A threshold, above which the shot-noise-limited sensing error saturates or even persistently decreases with the encoding time, is uncovered. Our analysis reveals that it is due to the formation of a bound state of the total sensor-reservoir system. Solving the outstanding error-divergency problem in previous studies, our result supplies an insightful guideline in realizing a sensitive measurement of quantum reservoirs.
Quantum key distribution (QKD) is an ingenious technology utilizing quantum information science for provable secure communication. However, owing to the technological limitations and device non-idealities it is important to analyze the system performance critically and carefully define the implementation security. With an acceleration in the commercial adoption of QKD, a simulation toolkit is requisite to evaluate the functional architecture of QKD protocols. We present a simulation framework to model optical and electrical components for implementing a QKD protocol. The present toolkit aims to model and simulate the optical path of the DPS-QKD protocol with its imperfections and eventually characterize the optical path. The detailed device-level modeling and analysis capabilities of the present toolkit based on Simulink and MATLAB have the potential to provide universal toolkit for practical design and implementation of generalized QKD protocols compared to earlier works. We report a novel work on the implementation of a QKD protocol on Simulink and MATLAB platform. Further, the absence of any modeling framework for DPS QKD and its simplistic optical schematic made it an obvious choice for the authors. We are hopeful that this work will pave way for simulating other QKD protocols from the DPR family.
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