相关论文: Overcoming positivity violations for density matri…
Nuclear Berry curvature effects emerge from electronic spin degeneracy and canlead to non-trivial spin-dependent (nonadiabatic) nuclear dynamics. However, such effects are completely neglected in all current mixed quantum-classical methods…
We address the issues of decoherence, frustrated hops and internal consistency in surface hopping. We demonstrate that moving away from an independent-trajectory picture is the strategy which allows us to propose a robust surface hopping…
We theoretically study the dynamics of an adiabatic sweep through a Feshbach resonance, thereby converting a degenerate quantum gas of fermionic atoms into a degenerate quantum gas of bosonic dimers. Our analysis relies on a zero…
Fr\'echet means on non-Euclidean spaces may exhibit nonstandard asymptotic rates rendering quantile-based asymptotic inference inapplicable. We show here that this affects, among others, all circular distributions whose support exceeds a…
Finite Sample Smeariness (FSS) has been recently discovered. It means that the distribution of sample Fr\'echet means of underlying rather unsuspicious random variables can behave as if it were smeary for quite large regimes of finite…
The possibility to apply phase-space methods to many-body interacting systems might provide accurate descriptions of correlations with a reduced numerical cost. For instance, the so--called stochastic mean-field phase-space approach, where…
We carried out extensive studies to examine the performance of the fewest-switches surface hopping method in the description of the ultrafast intersystem crossing dynamic of various singlet-triplet (S-T) models by comparison with the…
Quantum coherence of open quantum systems is usually compromised because of the interaction with the ambient environment. A "decoherence-free subspace" (DFS) of the system Hilbert space is defined where the evolution remains unitary. In the…
A procedure based on a Mixture Density Model for correcting experimental data for distortions due to finite resolution and limited detector acceptance is presented. Addressing the case that the solution is known to be non-negative, in the…
The generalized density matrix (GDM) method is used to calculate microscopically the parameters of the collective Hamiltonian. Higher order anharmonicities are obtained consistently with the lowest order results, the mean field…
Currently, there is a growing interest in the development of a new hierarchy of methods based on the concept of seniority, which has been introduced quite recently in quantum chemistry. Despite the enormous potential of these methods, the…
The surface code, one of the leading candidates for quantum error correction, is known to protect encoded quantum information against stochastic, i.e., incoherent errors. The protection against coherent errors, such as from unwanted gate…
We revisit a recent proposal to model nonadiabatic problems with a complex-valued Hamiltonian through a phase-space surface hopping (PSSH) algorithm employing a pseudo-diabatic basis. Here, we show that such a pseudo-diabatic PSSH (PD-PSSH)…
To quantify the effect of decoherence in quantum measurements, it is desirable to measure not merely the square modulus of the spatial wavefunction, but the entire density matrix, whose phases carry information about momentum and how pure…
The standard smoothed particle hydrodynamics (SPH) method suffers from tensile instability, resulting in particle clumping and void regions under negative pressure conditions. In this study, we extend the transport-velocity formulation of…
Conservation laws in a quantum many-body system play a direct role in its dynamic behavior. Understanding the effect of weakly breaking a conservation law due to coherent and incoherent errors is thus crucial, e.g., in the realization of…
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
Nonadiabatic molecular dynamics is a key technique for investigating a broad range of photochemical and photophysical processes. Among the established approaches, surface hopping schemes are widely used and can be easily integrated with…
The fractional quantum Hall effect remains a captivating area in condensed matter physics, characterized by strongly correlated topological order, which manifests as fractionalized excitations and anyonic statistics. Numerical simulations,…
Few-shot learning (FSL) enables machine learning models to generalize effectively with minimal labeled data, making it crucial for data-scarce domains such as healthcare, robotics, and natural language processing. Despite its potential, FSL…