Crystal field theoryIn molecular physics, crystal field theory (CFT) describes the breaking of degeneracies of electron orbital states, usually d or f orbitals, due to a static electric field produced by a surrounding charge distribution (anion neighbors). This theory has been used to describe various spectroscopies of transition metal coordination complexes, in particular optical spectra (colors). CFT successfully accounts for some magnetic properties, colors, hydration enthalpies, and spinel structures of transition metal complexes, but it does not attempt to describe bonding.
Ligand field theoryLigand field theory (LFT) describes the bonding, orbital arrangement, and other characteristics of coordination complexes. It represents an application of molecular orbital theory to transition metal complexes. A transition metal ion has nine valence atomic orbitals - consisting of five nd, one (n+1)s, and three (n+1)p orbitals. These orbitals are of appropriate energy to form bonding interaction with ligands. The LFT analysis is highly dependent on the geometry of the complex, but most explanations begin by describing octahedral complexes, where six ligands coordinate to the metal.
Spectrochemical seriesA spectrochemical series is a list of ligands ordered by ligand "strength", and a list of metal ions based on oxidation number, group and element. For a metal ion, the ligands modify the difference in energy Δ between the d orbitals, called the ligand-field splitting parameter in ligand field theory, or the crystal-field splitting parameter in crystal field theory. The splitting parameter is reflected in the ion's electronic and magnetic properties such as its spin state, and optical properties such as its color and absorption spectrum.
Kinetic energyIn physics, the kinetic energy of an object is the form of energy that it possesses due to its motion. It is defined as the work needed to accelerate a body of a given mass from rest to its stated velocity. Having gained this energy during its acceleration, the body maintains this kinetic energy unless its speed changes. The same amount of work is done by the body when decelerating from its current speed to a state of rest.
Spin states (d electrons)Spin states when describing transition metal coordination complexes refers to the potential spin configurations of the central metal's d electrons. For several oxidation states, metals can adopt high-spin and low-spin configurations. The ambiguity only applies to first row metals, because second- and third-row metals are invariably low-spin. These configurations can be understood through the two major models used to describe coordination complexes; crystal field theory and ligand field theory (a more advanced version based on molecular orbital theory).
Superconducting quantum computingSuperconducting quantum computing is a branch of solid state quantum computing that implements superconducting electronic circuits using superconducting qubits as artificial atoms, or quantum dots. For superconducting qubits, the two logic states are the ground state and the excited state, denoted respectively. Research in superconducting quantum computing is conducted by companies such as Google, IBM, IMEC, BBN Technologies, Rigetti, and Intel. Many recently developed QPUs (quantum processing units, or quantum chips) utilize superconducting architecture.
Hubbard modelThe Hubbard model is an approximate model used to describe the transition between conducting and insulating systems. It is particularly useful in solid-state physics. The model is named for John Hubbard. The Hubbard model states that each electron experiences competing forces: one pushes it to tunnel to neighboring atoms, while the other pushes it away from its neighbors. Its Hamiltonian thus has two terms: a kinetic term allowing for tunneling ("hopping") of particles between lattice sites and a potential term reflecting on-site interaction.
Flux qubitIn quantum computing, more specifically in superconducting quantum computing, flux qubits (also known as persistent current qubits) are micrometer sized loops of superconducting metal that is interrupted by a number of Josephson junctions. These devices function as quantum bits. The flux qubit was first proposed by Terry P. Orlando et al. at MIT in 1999 and fabricated shortly thereafter. During fabrication, the Josephson junction parameters are engineered so that a persistent current will flow continuously when an external magnetic flux is applied.
Functional integrationFunctional integration is a collection of results in mathematics and physics where the domain of an integral is no longer a region of space, but a space of functions. Functional integrals arise in probability, in the study of partial differential equations, and in the path integral approach to the quantum mechanics of particles and fields. In an ordinary integral (in the sense of Lebesgue integration) there is a function to be integrated (the integrand) and a region of space over which to integrate the function (the domain of integration).
Octahedral molecular geometryIn chemistry, octahedral molecular geometry, also called square bipyramidal, describes the shape of compounds with six atoms or groups of atoms or ligands symmetrically arranged around a central atom, defining the vertices of an octahedron. The octahedron has eight faces, hence the prefix octa. The octahedron is one of the Platonic solids, although octahedral molecules typically have an atom in their centre and no bonds between the ligand atoms. A perfect octahedron belongs to the point group Oh.
