Related papers: Are Molecules Magical? Non-Stabilizerness in Molec…

In this work we show that the molecular chemical bond formation and dissociation in presence of the d-band of a metal catalyst can be described as a Quantum Dynamical Phase Transition (QDPT). This agree with DFT calculations that predict…

Quantum mechanical phenomena, such as electronic coherence and entanglement, play a key role in achieving the unrivalled efficiencies of light-energy conversion in natural photosynthetic light-harvesting complexes, and triggered the growing…

The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…

Magic is a property of a quantum state that characterizes its deviation from a stabilizer state, serving as a useful resource for achieving universal quantum computation e.g., within schemes that use Clifford operations. In this work, we…

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

We define a new quantifier of classicality for a quantum state, the Roughness, which is given by the $\mathcal{L}^2 (\R^2)$ distance between Wigner and Husimi functions. We show that the Roughness is bounded and therefore it is a useful…

Mixtures of quantum fluids, that is gases or liquids, are considered with the emphasis on the conditions characterizing the stability of the mixtures. The mixtures, that can be formed by cold atoms or molecules, are assumed to be quantum…

We analyze two-particle binding factors of H2, LiH, and HeH+ molecules/ions with the help of our original exact diagonalization ab intio (EDABI) approach. The interelectronic correlations are taken into account rigorously within the second…

The nonstabilizerness, or magic, is an essential quantum resource to perform universal quantum computation. Robustness of magic (RoM) in particular characterizes the degree of usefulness of a given quantum state for non-Clifford operation.…

Many theoretical and laboratory studies predict H2 to be formed in highly excited ro-vibrational states. The consequent relaxation of excited levels via a cascade of infrared transitions might be observable in emission from suitable…

A single water molecule has nothing special. However, macroscopic water displays many anomalous properties at the interface, such as a high surface tension, hydrophobicity and hydrophillicity. Although the underlying mechanism is still…

There has always been a great deal of interest in the formation of H2 as well as in the binding energy released upon its formation on the surface of dust grains. The present work aims at collecting experimental evidence for how the bond…

In this paper we investigate some entanglement properties for the Hydrogen molecule considered as a two interacting spin 1/2 (qubit) model. The entanglement related to the $H_{2}$ molecule is evaluated both using the von Neumann entropy and…

We study the emission from a molecular photonic cavity formed by two proximal photonic crystal defect cavities containing a small number (<3) of In(Ga)As quantum dots. Under strong excitation we observe photoluminescence from the bonding…

In interiors of celestial objects matter is subdued to extremely high values of pressure.Theoretical analysis of the behaviour of atoms and molecules under high pressure is a complex quantum mechanical and statistical problem. The aim of…

Plasmons are fundamental excitations of metals which can be described in terms of electron dynamics, or in terms of the electromagnetic fields associated with them. In this work we develop a quantum description of plasmons in a double layer…

In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation…

Boundary time crystals exhibit measurement-induced phase transitions in their steady-state entanglement, with critical behavior that depends on the particular unraveling of the Lindblad dynamics. In this work, we investigate another key…

According to the correspondence principle, classical mechanics and quantum mechanics agree in the semiclassical limit, although presently it has become more and more clear how intriguing would be to try to fix a boundary between them. Here…

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and…