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Atomic orbitals are basic building blocks of the atomic orbital model (or electron cloud or wave mechanics model), a modern framework for visualizing submicroscopic behavior of electrons in matter. In this model, the electron cloud of an atom may be seen as being built up (in approximation) in an electron configuration that is a product of ...
In a simulation, the potential energy of an atom, , is given by [3] = (()) + (), where is the distance between atoms and , is a pair-wise potential function, is the contribution to the electron charge density from atom of type at the location of atom , and is an embedding function that represents the energy required to place atom of type into the electron cloud.
Calculations based on the Bohr–Sommerfeld model were able to accurately explain a number of more complex atomic spectral effects. For example, up to first-order perturbations, the Bohr model and quantum mechanics make the same predictions for the spectral line splitting in the Stark effect. At higher-order perturbations, however, the Bohr ...
The Bohr model of the hydrogen atom (Z = 1) or a hydrogen-like ion (Z > 1), where the negatively charged electron confined to an atomic shell encircles a small, positively charged atomic nucleus and where an electron jumps between orbits, is accompanied by an emitted or absorbed amount of electromagnetic energy (hν). [1]
The electron cloud is a region inside the potential well where each electron forms a type of three-dimensional standing wave—a wave form that does not move relative to the nucleus. This behavior is defined by an atomic orbital , a mathematical function that characterises the probability that an electron appears to be at a particular location ...
Metallic bonding is a type of chemical bonding that arises from the electrostatic attractive force between conduction electrons (in the form of an electron cloud of delocalized electrons) and positively charged metal ions. It may be described as the sharing of free electrons among a structure of positively charged ions .
In contrast to the Bohr model of chemical bonding, it turned out that the electron cloud mainly concentrates on the line between the nuclei, providing a Coulomb attraction between them. For many-electron atoms, the valence bond theory, laid down in 1927 by Walter Heitler and Fritz London, was a successful approximation.
The orbitals are thus expressed as linear combinations of basis functions, and the basis functions are single-electron functions which may or may not be centered on the nuclei of the component atoms of the molecule. In either case the basis functions are usually also referred to as atomic orbitals (even though only in the former case this name ...