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Continuous-variable Gaussian entanglement is an attractive notion, both as a fundamental concept in quantum information theory, based on the well-established Gaussian formalism for phase-space variables, and as a practical resource in…
For a theoretical understanding of the reactivity of complex chemical systems, relative energies of stationary points on potential energy hypersurfaces need to be calculated to high accuracy. Due to the large number of intermediates present…
We present an analytical many-body formalism for systems of spherical particles carrying arbitrary free charge distributions and interacting in a polarizable electrolyte solution, that we model within the linearized Poisson--Boltzmann…
In this paper we introduce a simple procedure for computing the macroscopic quantum behaviour of periodic quantum systems in the high energy regime. The macroscopic quantum coherence is ascribed to a one-particle state, not to a condensate…
Scattering processes in high-energy physics are inherently quantum mechanical, yet are typically analyzed at the level of final states, where entanglement appears as a property of the outcome rather than a consequence of the underlying…
Generalization of Gaussian trial wave functions in quantum molecular dynamics models is introduced, which allows for long-range correlations characteristic for composite nuclear fragments. We demonstrate a significant improvement in the…
Implicit electron-density solvation models based on joint density-functional theory offer a computationally efficient solution to the problem of calculating thermodynamic quantities of solvated systems from firstprinciples quantum…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
In multipole-bound anions, the excess electron is attached by a short-range multipole potential of a neutral molecule. Such anions are prototypical marginally-bound open quantum systems. In particular, around the critical multipole moment…
Traditional methods in quantum chemistry rely on Hartree-Fock-based Slater-determinant (SD) representations, whose underlying zeroth-order picture assumes separability by particle. Here, we explore a radically different approach, based on…
The linear classifier is widely used in various image classification tasks. It works by optimizing the distance between a sample and its corresponding class center. However, in real-world data, one class can contain several local clusters,…
We review canonical experiments on systems that have pushed the boundary between the quantum and classical worlds towards much larger scales, and discuss their unique features that enable quantum coherence to survive. Because the types of…
A method to implement the many-body Green function formalism in the GW approximation for infinite non periodic systems is presented. It is suitable to treat systems of known ``asymptotic'' properties which enter as boundary conditions,…
In recent years, molecular dynamics (MD) simulations have emerged as a pivotal tool for understanding the structure, dynamics, and phase behavior in charged soft matter systems. To explore phenomena across greater length and time scales in…
Setting off from the classic input-output formalism, we develop a theoretical framework to characterise the Gaussian quantum channels relating the initial correlations of an open bosonic system to those of properly identified output modes.…
Screening of a strongly charged macroion by multivalent counterions is considered. It is shown that counterions form a strongly correlated liquid at the surface of the macroion. Cohesive energy of this liquid leads to additional attraction…
We study a system of interacting electrons on a one-dimensional quantum ring using exact diagonalization and the variational quantum Monte Carlo method. We examine the accuracy of the Slater-Jastrow -type many-body wave function and compare…
The computation of Feynman integrals is often the bottleneck of multi-loop calculations. We propose and implement a new method to efficiently evaluate such integrals in the physical region through the numerical integration of a suitable set…
We present excitation energy spectra of few-electron vertically coupled quantum dots for strong and intermediate inter-dot coupling. By applying a magnetic field, we induce ground state transitions and identify the corresponding quantum…
The one-dimensional extended isotropic XY model (s=1/2) in a transverse field with uniform long-range interactions among the \textit{z} components of the spin is considered. The model is exactly solved by introducing the gaussian and…