Related papers: Improved semiclassical dynamics through adiabatic …
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
We present a mixed quantum-classical approach to strong-field ionization - a semiclassical two-step model with quantum input. In this model the initial conditions for classical trajectories that simulate electron wave packet after…
I present a theory of electron dynamics in semiconductors with slowly varying composition. I show that the frequency-dependent conductivity, required for the description of transport and optical properties, can be obtained from a knowledge…
We present a numerical path-integral iteration scheme for the low dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modelled…
Consistent dynamics which couples classical and quantum degrees of freedom exists, provided it is stochastic. This dynamics is linear in the hybrid state, completely positive and trace preserving. One application of this is to study the…
Quantum systems are typically subject to various environmental noise sources. Treating these environmental disturbances with a system-bath approach beyond weak coupling one must refer to numerical methods as, for example, the numerically…
A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees…
Trajectories are a central concept in our understanding of classical phenomena and also in rationalizing quantum mechanical effects. In this work we provide a way to determine semiclassical paths, approximations to quantum averages in phase…
Recently proposed quantum-chaotic sensors achieve quantum enhancements in measurement precision by applying nonlinear control pulses to the dynamics of the quantum sensor while using classical initial states that are easy to prepare. Here,…
The exact stochastic decomposition of non-Markovian dissipative quantum dynamics is combined with the time-dependent semiclassical initial value formalism. It is shown that even in the challenging regime of moderate friction and low…
This article provides an accessible illustration of the measurement approach to the study of the quantum-classical transition suitable for beginning graduate students. As an example, we apply it to a quantum system with a general quadratic…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…
We consider quantum decay and photofragmentation processes in open chaotic systems in the semiclassical limit. We devise a semiclassical approach which allows us to consistently calculate quantum corrections to the classical decay to high…
We investigate symmetric oscillators, and in particular their quantization, by employing semiclassical and quantum phase functions introduced in the context of Liouville-Green transformations of the Schr\"{o}dinger equation. For anharmonic…
We generalise the celebrated semiclassical wavepacket approach from the adiabatic to the non-adiabatic regime. A unified description covering both of these regimes is particularly desired for systems with spatially varying band structures…
We theoretically propose a multidimensional high-harmonic echo spectroscopy technique which utilizes strong optical fields to resolve coherent electron dynamics spanning an energy range of multiple electron Volts. Using our recently…
Semiclassical spectra weighted with products of diagonal matrix elements of operators A_{alpha}, i.e., g_{alpha alpha'}(E) = sum_n <n|A_{alpha}|n><n|A_{alpha'}|n>/(E-E_n) are obtained by harmonic inversion of a cross-correlation signal…
We present an investigation of vibrational features in water clusters performed by means of our recently established divide-and-conquer semiclassical approach [M. Ceotto, G. Di Liberto, and R. Conte, Phys. Rev. Lett. 119, 010401 (2017)].…
The application of a classical approach to various quantum problems - the secular perturbation approach to quantization of a hydrogen atom in external fields and a helium atom, the adiabatic switching method for calculation of a…
We introduce a simple ansatz for the wavefunction of a many-body system based on coupled forward and backward-propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in…