Related papers: Towards Complementary Characterization of the Chem…
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…
In this Chapter we reexamine the concept of $\textit{covalency}$ and $\textit{ionicity}$ on example of the simplest molecules. First, starting from the exact expression for the two-particle wave function in the case of $H_2$ molecule within…
We analyze two-particle binding factors for the case of \ch{H2} molecule with the help of our original Exact Diagonalization \textit{Ab Intio} (EDABI) approach. Explicitly, we redefine the many-particle covalency and ionicity factors as a…
We analyze the properties of the exact solution obtained by us recently for the extended Hetiler-London model for chemical bonding which has an analytic form. The emphasis is put on defining two-particle entanglement correlation as the…
The way atoms attach to each other defines the function(s), e.g., mechanical, optical, electronic, of a given material. The nature of the chemical bond is, therefore, one of the most fundamental issues in materials. Both ionic interactions,…
We consider two-particle correlations, which appear in relativistic nuclear collisions due to the quantum statistics of identical particles, in the frame of two formalisms: wave-function and current. The first one is based on solution of…
Wave-particle duality is a typical example of Bohr's complementarity principle that plays a significant role in quantum mechanics. Previous studies used the visibility of an interference pattern to quantify the wave property and used path…
Wave-particle duality as one of the expression of Bohr complementarity is a significant concept in the field of quantum mechanics. Quantitative analysis of wave-particle duality aims to establish a complementary relation between the…
The complementary wave and particle character of quantum objects (or quantons) was pointed out by Niels Bohr. This wave-particle duality, in the context of the two-slit experiment, is now described not just as two extreme cases of wave and…
The concept of wave-particle duality holds significant importance in the field of quantum mechanics, as it elucidates the dual nature encompassing both wave-like and particle-like properties exhibited by microscopic particles. In this…
Wave-particle duality is one of the most intriguing counterfactual concepts in quantum theory. In our common sense, the wave and particle properties of a quantum object are inseparable. However, the recent studies based on Quantum Cheshire…
We consider a composite particle formed by two fermions or two bosons. We discover that composite behavior is deeply related to the quantum entanglement between the constituent particles. By analyzing the properties of creation and…
The hydrogen molecules $H_2$ and $(H_2)_2$ are analyzed with electronic correlations taken into account between the $1s$ electrons exactly. The optimal single-particle Slater orbitals are evaluated in the correlated state of $H_2$ by…
The chemical bond is an important local concept to understand chemical compounds and processes. Unfortunately, like most local concepts, the chemical bond and the bond order do not correspond to any physical observable and thus cannot be…
A new approach to chemical bonding is introduced in order to provide an improved understanding of the connection between basic quantum mechanics and the covalent pair bond. It's focus is on the fact that the energy of the bond is largely…
Bohr's Complementarity Principle is quantitatively formulated in terms of the distinguishability of various paths a quanton can take, and the measure of the interference it produces. This phenomenon results from the interference of…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
Single-particle resonance parameters and wave functions in spherical and deformed nuclei are determined through analytic continuation in the potential strength. In this method, the analyticity of the eigenvalues and eigenfunctions of the…
Modern quantum chemistry can make quantitative predictions on an immense array of chemical systems. However, the interpretation of those predictions is often complicated by the complex wave function expansions used. Here we show that an…
Complementarity or wave-particle duality has been the basis of quantum mechanics over the last century. Since the Hanbury Brown and Twiss experiments in 1956, the particle nature of single photons has been intensively studied for various…