Related papers: A dynamical model of the chemical bond
The form of the Coulomb potential of a point in a noncommutative geometry is investigated. A distinction is made between measured distance and "coordinate" distance. The "effective" value of an operator is defined as its expectation value…
Earlier it has been supposed that energy of molecules depends on interatomic distance according to the curve 1, Fig. 1. However, dissociation of molecules (for example, Te2=2Te) often is a chemical reaction. According to chemical kinetics,…
We analyze the difference between the correlation energy as defined within the conventional quantum chemistry framework and its namesake in density-functional theory. Both quantities are rigorously defined concepts; one finds that $E_c^{QC}…
We measure the electron escape-rate from surface-acoustic-wave dynamic quantum dots (QDs) through a tunnel barrier. Rate-equations are used to extract the tunnelling rates, which change by an order of magnitude with tunnel-barrier gate…
The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…
The approximate representation of a quantum solid as an equivalent composite semi-classical solid is considered for insulating materials. The composite is comprised of point ions moving on a potential energy surface. In the classical bulk…
We consider a generic description of interacting dynamical Dark Energy, characterized by an equation of state with a time dependent coefficient $w(t)$, and which may interact with both radiation and matter. Without referring to any…
A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a…
Based on an observation that the basic mode of a common microwave waveguide is a solution to the Klein-Gordon equation, quantum mechanics is modeled as the wave-function propagated inside a waveguide. The guide width is determined by the…
A quantum-mechanical formulation of energy transfer between closely spaced surfaces is given. Coupling between the two surfaces arises from the atomic dipole-dipole interaction involving transverse-photon exchange. The exchange of photons…
In this review we first discuss extension of Bohr's 1913 molecular model and show that it corresponds to the large-D limit of a dimensional scaling (D-scaling) analysis, as developed by Herschbach and coworkers. In a separate but synergetic…
We introduce "bond-counting" potentials, which provide an elementary description of covalent bonding. These simplistic potentials are intended for studies of the mechanisms behind a variety of phase transitions in elemental melts, including…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
The term "long-range interactions" refers to electrostatic and magnetostatic potential energies between atoms and molecules with mutual distances ranging from a few tens to a few hundreds Bohr radii. The involved energies are much smaller…
The concept of chemical bonding is a crucial aspect of chemistry that aids in understanding the complexity and reactivity of molecules and materials. However, the interpretation of chemical bonds can be hindered by the choice of the…
The chemical potential of a metal film within the jellium model with taking into account the Coulomb interaction between electrons is calculated. The surface potential is modeled as the infinite rectangular potential well. The behavior of…
Using Metropolis method to compute path integrals, the energy of quantum strongly-coupled Coulomb liquid ($1 \leq \Gamma \leq 175$) composed of distinguishable atomic nuclei and uniform incompressible electron background is calculated from…
Equations of state for hydrogen bonding fluids are typically described by two energy scales. A short range highly directional hydrogen bond energy scale, as well as a reference energy scale which accounts for dispersion and orientationally…
Abstact: We introduce new models of energy redistribution in stochastic chemical kinetics with several molecule types and energy parameters. The main results concern the situations when there are product form measures. Using a probabilistic…
A new model of quantum mechanics, Classical Quantum Mechanics, is based on the (nearly heretical) postulate that electrons are physical objects that obey classical physical laws. Indeed, ionization energies, excitation energies etc. are…