Density functional theoryDensity-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. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
Three-dimensional spaceIn geometry, a three-dimensional space (3D space, 3-space or, rarely, tri-dimensional space) is a mathematical space in which three values (coordinates) are required to determine the position of a point. Most commonly, it is the three-dimensional Euclidean space, the Euclidean n-space of dimension n=3 that models physical space. More general three-dimensional spaces are called 3-manifolds. Technically, a tuple of n numbers can be understood as the Cartesian coordinates of a location in a n-dimensional Euclidean space.
Minimal couplingIn analytical mechanics and quantum field theory, minimal coupling refers to a coupling between fields which involves only the charge distribution and not higher multipole moments of the charge distribution. This minimal coupling is in contrast to, for example, Pauli coupling, which includes the magnetic moment of an electron directly in the Lagrangian. In electrodynamics, minimal coupling is adequate to account for all electromagnetic interactions. Higher moments of particles are consequences of minimal coupling and non-zero spin.
JelliumJellium, also known as the uniform electron gas (UEG) or homogeneous electron gas (HEG), is a quantum mechanical model of interacting electrons in a solid where the positive charges (i.e. atomic nuclei) are assumed to be uniformly distributed in space; the electron density is a uniform quantity as well in space. This model allows one to focus on the effects in solids that occur due to the quantum nature of electrons and their mutual repulsive interactions (due to like charge) without explicit introduction of the atomic lattice and structure making up a real material.
Twistor theoryIn theoretical physics, twistor theory was proposed by Roger Penrose in 1967 as a possible path to quantum gravity and has evolved into a widely studied branch of theoretical and mathematical physics. Penrose's idea was that twistor space should be the basic arena for physics from which space-time itself should emerge. It has led to powerful mathematical tools that have applications to differential and integral geometry, nonlinear differential equations and representation theory, and in physics to general relativity, quantum field theory, and the theory of scattering amplitudes.
Dimensional analysisIn engineering and science, dimensional analysis is the analysis of the relationships between different physical quantities by identifying their base quantities (such as length, mass, time, and electric current) and units of measurement (such as metres and grams) and tracking these dimensions as calculations or comparisons are performed. The term dimensional analysis is also used to refer to conversion of units from one dimensional unit to another, which can be used to evaluate scientific formulae.
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.
Exchange interactionIn chemistry and physics, the exchange interaction or exchange splitting (with an exchange energy and exchange term) is a quantum mechanical effect that only occurs between identical particles. Despite sometimes being called an exchange force in an analogy to classical force, it is not a true force as it lacks a force carrier. The effect is due to the wave function of indistinguishable particles being subject to exchange symmetry, that is, either remaining unchanged (symmetric) or changing sign (antisymmetric) when two particles are exchanged.
SpinorIn geometry and physics, spinors spɪnɚ are elements of a complex number-based vector space that can be associated with Euclidean space. A spinor transforms linearly when the Euclidean space is subjected to a slight (infinitesimal) rotation, but unlike geometric vectors and tensors, a spinor transforms to its negative when the space rotates through 360° (see picture). It takes a rotation of 720° for a spinor to go back to its original state.
Carbon nanotubeA carbon nanotube (CNT) is a tube made of carbon with a diameter in the nanometer range (nanoscale). They are one of the allotropes of carbon. Single-walled carbon nanotubes (SWCNTs) have diameters around 0.5–2.0 nanometers, about 100,000 times smaller than the width of a human hair. They can be idealized as cutouts from a two-dimensional graphene sheet rolled up to form a hollow cylinder. Multi-walled carbon nanotubes (MWCNTs) consist of nested single-wall carbon nanotubes in a nested, tube-in-tube structure.
Potential applications of carbon nanotubesCarbon nanotubes (CNTs) are cylinders of one or more layers of graphene (lattice). Diameters of single-walled carbon nanotubes (SWNTs) and multi-walled carbon nanotubes (MWNTs) are typically 0.8 to 2 nm and 5 to 20 nm, respectively, although MWNT diameters can exceed 100 nm. CNT lengths range from less than 100 nm to 0.5 m. Individual CNT walls can be metallic or semiconducting depending on the orientation of the lattice with respect to the tube axis, which is called chirality.
Perturbation theory (quantum mechanics)In quantum mechanics, perturbation theory is a set of approximation schemes directly related to mathematical perturbation for describing a complicated quantum system in terms of a simpler one. The idea is to start with a simple system for which a mathematical solution is known, and add an additional "perturbing" Hamiltonian representing a weak disturbance to the system. If the disturbance is not too large, the various physical quantities associated with the perturbed system (e.g.
