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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 ...
The Independent Atom Model (abbreviated to IAM), upon which the Multipole Model is based, is a method of charge density modelling. It relies on an assumption that electron distribution around the atom is isotropic, and that therefore charge density is dependent only on the distance from a nucleus.
Mixture models are used for clustering, under the name model-based clustering, and also for density estimation. Mixture models should not be confused with models for compositional data, i.e., data whose components are constrained to sum to a constant value (1, 100%, etc.). However, compositional models can be thought of as mixture models, where ...
Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases.
This type of mixture, being a finite sum, is called a finite mixture, and in applications, an unqualified reference to a "mixture density" usually means a finite mixture. The case of a countably infinite set of components is covered formally by allowing n = ∞ {\displaystyle n=\infty \!} .
A pure quantum state is a state that can not be written as a probabilistic mixture, or convex combination, of other quantum states. [5] There are several equivalent characterizations of pure states in the language of density operators. [9]: 73 A density operator represents a pure state if and only if:
It is supported by the experimental fact that the lowest energy state of the nickel atom is a 3d 8 4s 2 energy level, specifically the 3d 8 (3 F) 4s 2 3 F, J = 4 level. [ 26 ] [ 27 ] However, each of these two configurations splits into several energy levels due to fine structure , [ 26 ] [ 27 ] and the two sets of energy levels overlap.
The Bohr model of the atom, with an electron making instantaneous "quantum leaps" from one orbit to another with gain or loss of energy. This model of electrons in orbits is obsolete. A problem in classical mechanics is that an accelerating charged particle radiates electromagnetic radiation, causing the particle to lose kinetic energy.