Quantum-trajectory Monte Carlo method for internal-state evolution of fast ions traversing amorphous solids

Conditions sufficient for a minimal quantum dynamical semigroup (QDS) to be conservative are proved for the class of problems in quantum optics under the assumption that the self-adjoint Hamiltonian of the QDS is a finite degree polynomial in the creation and annihilation operators. The degree of the Hamiltonian may be greater than the degree of the completely positive part of the generator of the QDS. The conservativity (or the unital property) of a minimal QDS implies the uniqueness of the solution of the corresponding master Markov equation, i.e., in the unital case, the formal generator determines the QDS uniquely; moreover, in the Heisenberg representation, the QDS preserves the unit observable, and in the Schrodinger representation, it preserves the trace of the initial state. The analogs of the conservativity condition for classical Markov evolution equations (such as the heat and the Kolmogorov--Feller equations) are known as nonexplosion conditions or conditions excluding the escape of trajectories to infinity.

Sufficient conditions for a quantum dynamical semigroup (QDS) to be unital are proved for a class of problems in quantum optics with Hamiltonians which are self-adjoint polynomials of any finite order in creation and annihilation operators. The order of the Hamiltonian may be higher than the order of completely positive part of the formal generator of a QDS.

By employing the potential non-relativistic quantum chromodynamics (pNRQCD) effective field theory within an open quantum system framework, we derive a Lindblad equation governing the evolution of the heavy-quarkonium reduced density matrix, accurate to next-to-leading order (NLO) in the ratio of the state’s binding energy to the medium’s temperature [1]. The derived NLO Lindblad equation provides a more reliable description of heavy-quarkonium evolution in the quark-gluon plasma at low temperatures compared to the leading-order truncation. For phenomenological applications, we numerically solve this equation using the quantum trajectories algorithm. By averaging over Monte Carlo-sampled quantum jumps, we obtain solutions without truncation in the angular momentum quantum number of the considered states. Our analysis highlights the importance of quantum jumps in the nonequilibrium evolution of bottomonium states within the quark-gluon plasma [2]. Additionally, we demonstrate that the quantum regeneration of singlet states from octet configurations is essential to explain experimental observations of bottomonium suppression. The heavy-quarkonium transport coefficients used in our study align with recent lattice QCD determinations.

Accurate simulation of the time evolution of a quantum system under the influence of an environment is critical to making accurate predictions in chemistry, condensed-matter physics, and materials sciences. Whereas there has been a recent surge in interest in quantum algorithms for the prediction of nonunitary time evolution in quantum systems, few studies offer a direct quantum analog to the Lindblad equation. Here, we present a quantum algorithm—utilizing a decomposition of nonunitary operators approach—that models dynamic processes via the unraveled Lindblad equation. This algorithm is employed to probe both a two-level system in an amplitude damping channel as well as the transverse field Ising model in a variety of parameter regimes; the resulting population dynamics demonstrate excellent agreement with classical simulation, showing the promise of predicting population dynamics utilizing quantum devices for a variety of important systems in molecular energy transport, quantum optics, and other open quantum systems.

Quasidegenerate perturbation theory within the configuration interaction approach (QDPT CI) is applied to the calculation of photoelectron spectra of Ne and Ar, employing the sudden approximation for the calculation of the intensities. This approach proves to be able to take into account properly the dynamical and nondynamical correlation effects for both the valence and core ionizations, provided that static relaxation effects are explicitly taken into account through the use of SCF relaxed orbitals for the core processes. The importance of the choice of the zero-order space, which must comprise the strongly interacting configurations, is discussed and good agreement with the experimental data is obtained also employing zero-order spaces of limited dimension, the possible remaining discrepancies being due to limitations of the basis set employed or of the approach used for the calculation of the intensities. The method proves therefore to be adequate for a quantitative description of the entire photoionization spectra of Ne and Ar, reproducing both the energies and the intensities of the rich satellite structures.

Coulomb explosion following electronic excitation in ion-solid interaction

Nonlinear load exceedance model for cyclic load processes: development

The Ratip program for relativistic calculations of atomic transition, ionization and recombination properties

High-pressure multiphase behavior of the ternary systems (ethene + water + 1-propanol) and (ethene + water + 2-propanol) : Part II: Modeling

Electron capture processes in collisions of O6+ with ground state He and H2 are investigated using the two-centre atomic orbital close-coupling method. Total and state-selective one-electron capture cross sections are obtained for collision energies between 0.5 and 300 keV/u. The comparison with the available experimental state-selective capture data in the overlapping energy range (0.5–100 keV/u for O6++He and 0.5–8 keV/u for O6++H2) shows a good overall agreement. The polarization degrees of 3p 2P3/2–3s 2S1/2 radiation from O5+(3p 2P3/2) produced in O6++He and O6++H2 collisions are calculated from the magnetic substate-selective cross sections with inclusion of cascade contributions from higher n = 4 and n = 5 states. Good agreement is obtained with the experimental data available in the energy range 3–8 keV/u. Below ∼10 keV/u, the polarization degrees of O5+(3p 2P3/2) in both collision systems exhibit an oscillatory structure and above this energy they steadily increase with the increase of collision energy, reaching the values of about 0.37 at 300 keV/u. The energy behaviour of the polarization degree of O5+(3p 2P3/2) in the O6++He collision system is determined almost exclusively by the direct electron capture to 3p0 and 3p1 states of O5+, while in the case of the O6++H2 collision system in the energy region below ∼40 keV/u it is strongly affected by the cascade contributions from the 4l states, which are the dominant capture states in this system.

Vibrational and electronic spectra of 9,10-dihydrobenzo(a)pyren-7(8H)-one and 7,8,9,10-tetrahydrobenzo(a)pyrene: An experimental and computational study

The Second International Conference and Advanced School 'Turbulent Mixing and Beyond', TMB-2009, was held at the Abdus Salam International Centre for Theoretical Physics, (ICTP), Trieste, Italy on 27 July–7 August 2009. TMB-2009 united over 180 participants ranging from students to members of the National Academies of Sciences and Engineering, and including researchers at experienced and early stages of their carriers from leading scientific institutions in academia, national laboratories, corporations and industry worldwide. Responding to the community's inquiry and reaffirming the practices established at TMB-2007, two Round Tables were organized for the participants of TMB-2009 on 30 July 2009 and 6 August 2009 in the Oppenheimer Room at the Centre. The goals of the Round Tables were to encourage the information exchange among the members of the interdisciplinary and international TMB community, promote discussions regarding the state-of-the-art in TMB-related scientific areas, identify directions for frontier research, and articulate recommendations for future developments.

We perform a comprehensive study of the time evolution of heavy-quarkonium states in an expanding hot QCD medium by implementing effective field theory techniques in the framework of open quantum systems. The formalism incorporates quarkonium production and its subsequent evolution in the fireball including quarkonium dissociation and recombination. We consider a fireball with a local temperature that is much smaller than the inverse size of the quarkonium and much larger than its binding energy. The calculation is performed at an accuracy that is leading-order in the heavy-quark density expansion and next-to-leading order in the multipole expansion. Within this accuracy, for a smooth variation of the temperature and large times, the evolution equation can be written as a Lindblad equation. We solve the Lindblad equation numerically both for a weakly-coupled quark-gluon plasma and a strongly-coupled medium. As an application, we compute the nuclear modification factor for the $\Upsilon(1S)$ and $\Upsilon(2S)$ states. We also consider the case of static quarks, which can be solved analytically. Our study fulfils three essential conditions: it conserves the total number of heavy quarks, it accounts for the non-Abelian nature of QCD and it avoids classical approximations.

We present a general formalism based on the variational principle for finding the time-optimal quantum evolution of mixed states governed by a master equation, when the Hamiltonian and the Lindblad operators are subject to certain constraints. The problem may be reduced to solving first a fundamental equation, which can be written down once the constraints are specified, for the Hamiltonian and then solving the constraints and the master equation for the Lindblad and the density operators. As an application of our formalism, we study a simple one-qubit model, where the optimal Lindblad operators can be simulated by a tunable coupling with an ancillary qubit.

The dynamics of Markovian open quantum systems are described by Lindblad master equations. For fermionic and bosonic systems that are quasi-free, i.e. with Hamiltonians that are quadratic in the ladder operators and Lindblad operators that are linear in the ladder operators, we derive the equation of motion for the covariance matrix. This determines the evolution of Gaussian initial states and the steady states, which are also Gaussian. Using ladder super-operators (a.k.a. third quantization), we show how the Liouvillian can be transformed to a many-body Jordan normal form which also reveals the full many-body spectrum. Extending previous work by Prosen and Seligman, we treat fermionic and bosonic systems on equal footing with Majorana operators, shorten and complete some derivations, also address the odd-parity sector for fermions, give a criterion for the existence of bosonic steady states, cover non-diagonalizable Liouvillians also for bosons, and include quadratic systems. In extension of the quasi-free open systems, quadratic open systems comprise additional Hermitian Lindblad operators that are quadratic in the ladder operators. While Gaussian states may then evolve into non-Gaussian states, the Liouvillian can still be transformed to a useful block-triangular form, and the equations of motion for k-point Green’s functions form a closed hierarchy. Based on this formalism, results on criticality and dissipative phase transitions in such models are discussed in a companion paper.