相关论文: Electron delocalization in aromaticity as a superp…

I show that the theory developed for quantum delocalization of an excited Hydrogen atom in a two-frequency linearly polarized microwave field can be used with a few adaptions to explain the quantum delocalization of Alkali atoms in a…

The quantum mechanical description of the chemical bond is generally given in terms of delocalized bonding orbitals, or, alternatively, in terms of correlations of occupations of localised orbitals. However, in the latter case, multiorbital…

The finite-basis, pair formulation of the Spectral Theory of chemical bonding is briefly surveyed. Solutions of the Born-Oppenheimer polyatomic Hamiltonian totally antisymmetric in electron exchange are obtained from diagonalization of an…

Single-electron capacitance spectroscopy precisely measures the energies required to add individual electrons to a quantum dot. The spatial extent of electronic wavefunctions is probed by investigating the dependence of these energies on…

The nonlocal electrodynamics of uniformly rotating systems is presented and its predictions are discussed. In this case, due to paucity of experimental data, the nonlocal theory cannot be directly confronted with observation at present. The…

We prove a result of delocalization for the Anderson model on the regular tree (Bethe lattice). When the disorder is weak, it is known that large parts of the spectrum are a.s. purely absolutely continuous, and that the dynamical transport…

Quantum correlations in a physical system are usually studied with respect to a unique (fixed) decomposition of the system into subsystems, without fully exploiting the rich structure of the state-space. Here, we show several examples in…

We study alchemical atomic energy partitioning as a method to estimate atomisation energies from atomic contributions which are defined in physically rigorous and general ways through use of the uniform electron gas as a joint reference. We…

Decoherence of a quantum state coupled to an exterior environment is at the foundation of our understanding of the emergence of classical behavior from the quantum world, but how does it emerge in a finite closed quantum system? Here this…

We analyze through the expectation value of the energy density the spatial nonlocality of single photons emitted by the spontaneous decay of a Hydrogen atom. By using a minimal coupling between the quantized electromagnetic field and the…

Dimensionless ratios characterizing many-body systems are a powerful tool to reveal the main universal quantities involved. The recently-introduced localisation parameter allow to study the occurrence of crystal, clusterisation, and quantum…

We introduce and discuss the concept of \textit{arrangement}, traditionally found in the context of chemical reactions and few-body rearrangement collisions, in the general context of an $N$-body quantum system. We show that the ability for…

In this contribution, pursuing our research program extending the atoms in molecules analysis into unorthodox domains, another key ingredient of the two-component quantum theory of atoms in molecules (TC-QTAIM) namely, the theory of…

Like a silver thread, quantum entanglement [1] runs through the foundations and breakthrough applications of quantum information theory. It cannot arise from local operations and classical communication (LOCC) and therefore represents a…

Spatial localization of the electrons of an atom or molecule is studied in models of non-relativistic matter coupled to quantized radiation. We give two definitions of the ionization threshold. One in terms of spectral data of cluster…

We investigate the impact of electronic correlations and quantum delocalization onto the static structure factor and static density response function of the strongly coupled electron liquid. In contrast to a classical system, the density…

Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important…

Quantum superposition states are behind many of the curious phenomena exhibited by quantum systems, including Bell non-locality, quantum interference, quantum computational speed-up, and the measurement problem. At the same time, many…

The decoherence of quantum states defines the transition between the quantum world and classical physics. Decoherence or, analogously, quantum mechanical collapse events pose fundamental questions regarding the interpretation of quantum…

Quantum theory departs from classical physics in its treatment of correlations, most prominently through the phenomena of contextuality and nonlocality. Once regarded primarily as foundational curiosities, these effects are now understood…