相关论文: Classical and semiclassical studies of the hydroge…
Excitons, as bound states of electrons and holes, embody the solid state analogue of the hydrogen atom, whose quantum spectrum is explained within a classical framework by the Bohr-Sommerfeld atomic model. In a first hydrogenlike…
The hydrogen atom as relativistic bound-state system of a proton and an electron in the complex-mass scheme is investigated. Interaction of a proton and an electron in the atom is described by the Lorentz-scalar Coulomb potential; the…
We describe the atomic-level motions in caesium hydroxide monohydrate (CsOH$\cdot$H$_2$O), which is a chemical compound containing layers of water and hydroxide ions. At this composition, each oxygen is involved in three hydrogen bonds…
We illustrate the description of correlated subsystems by studying the simple two-body Hydrogen atom. We study the entanglement of the electron and proton coordinates in the exact analytical solution. This entanglement, which we quantify in…
In this paper we study two electrons on a line on the same side of the nucleus which interact with each other by their mean value. We prove that there exists a unique periodic orbit and examine for which charges the two orbits of the…
Metallic hydrogen is the most common condensed material in the universe, comprising the centre of gas giant planets. However, experimental studies are extremely challenging, and most of our understanding of this material has been led by…
Homoclinic and heteroclinic orbits provide a skeleton of the full dynamics of a chaotic dynamical system and are the foundation of semiclassical sums for quantum wave packet, coherent state, and transport quantities. Here, the homoclinic…
Benzene, a hexagonal molecule with formula C$_6$H$_6$, is one of the most important aromatic hydrocarbons. Its structure arises from the $sp^{2}$ hybridization from which three in-plane $\sigma$-bonds are formed. A fourth $\pi$-orbital…
While a wealth of results has been obtained for chaos in single-particle quantum systems, much less is known about chaos in quantum many-body systems. We contribute to recent efforts to make a semiclassical analysis of such systems…
Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…
An historical overview is given of the relevant steps that allowed the genesis of the quantum theory of the chemical bond, starting from the appearance of the new quantum mechanics and following later developments till approximately 1931.…
We construct a system of coherent states for the hydrogen atom that is expressed in terms of elementary functions. Unlike to the previous attempts in this direction, this system possesses the properties equivalent to the most of those for…
We present a simple proof of the stability of the hydrogen molecule $(M^+M^+m^-m^-)$. It does not rely on the proton-to-electron mass ratio $M/m$ being very large, and actually holds for arbitrary values of $M/m$. Some asymmetric molecules…
Chemical bonding is a nonlocal phenomenon that binds atoms into molecules. Its ubiquitous presence in chemistry, however, stands in stark contrast to its ambiguous definition and the lack of a universal perspective for its understanding. In…
Halogen bonding has emerged as an important noncovalent interaction in a myriad of applications, including drug design, supramolecular assembly, and catalysis. Current understanding of the halogen bond is informed by electronic structure…
The prototypical Hydrogen bond in water dimer and Hydrogen bonds in the protonated water dimer, in other small molecules, in water cyclic clusters, and in ice, covering a wide range of bond strengths, are theoretically investigated by…
Bifurcations of periodic orbits as an external parameter is varied are a characteristic feature of generic Hamiltonian systems. Meyer's classification of normal forms provides a powerful tool to understand the structure of phase space…
A general technique for the periodic orbit quantization of systems with near-integrable to mixed regular-chaotic dynamics is introduced. A small set of periodic orbits is sufficient for the construction of the semiclassical recurrence…
Molecular structure is often considered as emerging from the decoherence effect of the environment. Electrons are part of the environment of the nuclei in a molecule. In this work, their contribution to the classical-like geometrical…
The position and momentum spreading of the electron distribution of the two-dimensional confined hydrogenic atom, which is a basic prototype of the general multidimensional confined quantum systems, is numerically studied in terms of the…