Related papers: Are Molecules Magical? Non-Stabilizerness in Molec…
Hydrogen bonds are of paramount importance in the chemistry of clays, mediating the interaction between the clay surface and water, and for some materials between separate layers. It is well-established that the accuracy of a computational…
The behavior of two-dimensional electron gas (2DEG) in extreme coupling limits are reasonably well-understood, but our understanding of intermediate region remains limited. Strongly interacting electrons crystalize into a solid phase known…
We study theoretically the quantum optical properties of hybrid molecules composed of an individual quantum dot and a metallic nanoparticle. We calculate the resonance fluorescence of this hybrid system. Its incoherent part, the one arising…
We introduce a notion of chirality for generic quantum states. A chiral state is defined as a state which cannot be transformed into its complex conjugate in a local product basis using local unitary operations. We introduce a number of…
We present a comprehensive theoretical investigation of high-order harmonic generation in H$_2^+$ molecular ions within a quantum optical framework. Our study focuses on characterizing various quantum optical and quantum information…
The physical nature and the correct definition of hydrogen bond (H-bond) are considered.\,\,The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed.\,\,The conventional model of H-bonds as…
In this study, we develop and implement a specialized coupled-cluster (CC) approach tailored for accurately describing atoms and molecules in strong magnetic fields. Using the open-source Ghent Quantum Chemistry Package (\texttt{GQCP}) in…
We consider an infinite-range interacting quantum spin-1/2 model, undergoing periodic kicking and dissipatively coupled with an environment. In the thermodynamic limit, it is described by classical mean-field equations that can show regular…
Quantum droplets are small clusters of atoms self-bound by the balance of attractive and repulsive forces. Here we report on the observation of a novel type of droplets, solely stabilized by contact interactions in a mixture of two…
The ammonia dimer (NH3)2 has been investigated using high--level ab initio quantum chemistry methods and density functional theory (DFT). The structure and energetics of important isomers is obtained to unprecedented accuracy without…
Entanglement is not only the resource that fuels many quantum technologies but also plays a key role for some of the most profound open questions of fundamental physics. Experiments controlling quantum systems at the single quantum level…
We investigate the role of a statistical complexity measure to assign equilibration in isolated quantum systems. While unitary dynamics preserve global purity, expectation values of observables often exhibit equilibration-like behavior,…
Diatomic polar molecules are one of the most promising platforms of quantum computing due to their rich internal states and large electric dipole moments. Here, we propose entangling rotational states of adjacent polar molecules via a…
The ionization dynamics of a hydrogen molecule, serving as a fundamental benchmark in quantum chemistry, is investigated within a comprehensive framework combining quantum electrodynamics and the Lindblad master equation. This approach…
In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of molecular integrals that can then be used to calculate…
Chemical bonding is the stabilization of a composite molecular system caused by different interactions in and between the subsystems, among the strong kinds of bonding is covalent bonding especially important. Characteristic for covalent…
A pure quantum state of large number N of oscillators, interacting via harmonic coupling, evolves such that any small subsystem n<<N of the global state approaches equilibrium. This provides a novel example where equilibration emerges as a…
Magic or non-stabilizerness is a resource for quantum computing that has been extensively studied in qudit networks. It describes the degree to which Clifford gates cannot generate a given state, capturing the advantage of quantum over…
Preparing molecules at rest and in a highly pure quantum state is a long standing dream in chemistry and physics, so far achieved only for a select set of molecules in dedicated experimental setups. Here, a quantum-limited combination of…
It is generally assumed that solid hydrogen will transform into a metallic alkali-like crystal at sufficiently high pressure. However, some theoretical models have also suggested that compressed hydrogen may form an unusual two-component…