CrystalA crystal or crystalline solid is a solid material whose constituents (such as atoms, molecules, or ions) are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions. In addition, macroscopic single crystals are usually identifiable by their geometrical shape, consisting of flat faces with specific, characteristic orientations. The scientific study of crystals and crystal formation is known as crystallography.
Project JupyterProject Jupyter (ˈdʒuːpɪtər) is a project to develop open-source software, open standards, and services for interactive computing across multiple programming languages. It was spun off from IPython in 2014 by Fernando Pérez and Brian Granger. Project Jupyter's name is a reference to the three core programming languages supported by Jupyter, which are Julia, Python and R. Its name and logo are an homage to Galileo's discovery of the moons of Jupiter, as documented in notebooks attributed to Galileo.
Crystal systemIn crystallography, a crystal system is a set of point groups (a group of geometric symmetries with at least one fixed point). A lattice system is a set of Bravais lattices. Space groups are classified into crystal systems according to their point groups, and into lattice systems according to their Bravais lattices. Crystal systems that have space groups assigned to a common lattice system are combined into a crystal family. The seven crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal, and cubic.
IPythonIPython (Interactive Python) is a command shell for interactive computing in multiple programming languages, originally developed for the Python programming language, that offers introspection, rich media, shell syntax, tab completion, and history. IPython provides the following features: Interactive shells (terminal and Qt-based). A browser-based notebook interface with support for code, text, mathematical expressions, inline plots and other media. Support for interactive data visualization and use of GUI toolkits.
Crystal structureIn crystallography, crystal structure is a description of the ordered arrangement of atoms, ions, or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in the material that constitutes this repeating pattern is the unit cell of the structure.
Liquid crystalLiquid crystal (LC) is a state of matter whose properties are between those of conventional liquids and those of solid crystals. For example, a liquid crystal may flow like a liquid, but its molecules may be oriented in a crystal-like way. There are many types of LC phases, which can be distinguished by their optical properties (such as textures). The contrasting textures arise due to molecules within one area of material ("domain") being oriented in the same direction but different areas having different orientations.
Notebook interfaceA notebook interface or computational notebook is a virtual notebook environment used for literate programming, a method of writing computer programs. Some notebooks are WYSIWYG environments including executable calculations embedded in formatted documents; others separate calculations and text into separate sections. Notebooks share some goals and features with spreadsheets and word processors but go beyond their limited data models. Modular notebooks may connect to a variety of computational back ends, called "kernels".
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Periodic tableThe periodic table, also known as the periodic table of the elements, arranges the chemical elements into rows ("periods") and columns ("groups"). It is an organizing icon of chemistry and is widely used in physics and other sciences. It is a depiction of the periodic law, which says that when the elements are arranged in order of their atomic numbers an approximate recurrence of their properties is evident. The table is divided into four roughly rectangular areas called blocks.
Perturbation theoryIn mathematics and applied mathematics, perturbation theory comprises methods for finding an approximate solution to a problem, by starting from the exact solution of a related, simpler problem. A critical feature of the technique is a middle step that breaks the problem into "solvable" and "perturbative" parts. In perturbation theory, the solution is expressed as a power series in a small parameter . The first term is the known solution to the solvable problem. Successive terms in the series at higher powers of usually become smaller.
E8 latticeIn mathematics, the E_8 lattice is a special lattice in R^8. It can be characterized as the unique positive-definite, even, unimodular lattice of rank 8. The name derives from the fact that it is the root lattice of the E_8 root system. The norm of the E_8 lattice (divided by 2) is a positive definite even unimodular quadratic form in 8 variables, and conversely such a quadratic form can be used to construct a positive-definite, even, unimodular lattice of rank 8. The existence of such a form was first shown by H.
Atomic electron transitionIn atomic physics and chemistry, an atomic electron transition (also called an electronic (de-)excitation, atomic transition, or quantum jump) is a change (or jump) of an electron from one energy level to another within an atom or artificial atom. It appears discontinuous as the electron "jumps" from one quantized energy level to another, typically in a few nanoseconds or less. Electron transitions cause the emission or absorption of electromagnetic radiation in the form of quantized units called photons.
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.
Lattice QCDLattice QCD is a well-established non-perturbative approach to solving the quantum chromodynamics (QCD) theory of quarks and gluons. It is a lattice gauge theory formulated on a grid or lattice of points in space and time. When the size of the lattice is taken infinitely large and its sites infinitesimally close to each other, the continuum QCD is recovered. Analytic or perturbative solutions in low-energy QCD are hard or impossible to obtain due to the highly nonlinear nature of the strong force and the large coupling constant at low energies.
Unimodular latticeIn geometry and mathematical group theory, a unimodular lattice is an integral lattice of determinant 1 or −1. For a lattice in n-dimensional Euclidean space, this is equivalent to requiring that the volume of any fundamental domain for the lattice be 1. The E8 lattice and the Leech lattice are two famous examples. A lattice is a free abelian group of finite rank with a symmetric bilinear form (·, ·). The lattice is integral if (·,·) takes integer values. The dimension of a lattice is the same as its rank (as a Z-module).
Coupling constantIn physics, a coupling constant or gauge coupling parameter (or, more simply, a coupling), is a number that determines the strength of the force exerted in an interaction. Originally, the coupling constant related the force acting between two static bodies to the "charges" of the bodies (i.e. the electric charge for electrostatic and the mass for Newtonian gravity) divided by the distance squared, , between the bodies; thus: in for Newtonian gravity and in for electrostatic.
Ionization energyIn physics and chemistry, ionization energy (IE) (American English spelling), ionisation energy (British English spelling) is the minimum energy required to remove the most loosely bound electron of an isolated gaseous atom, positive ion, or molecule. The first ionization energy is quantitatively expressed as X(g) + energy ⟶ X+(g) + e− where X is any atom or molecule, X+ is the resultant ion when the original atom was stripped of a single electron, and e− is the removed electron.
Lattice model (physics)In mathematical physics, a lattice model is a mathematical model of a physical system that is defined on a lattice, as opposed to a continuum, such as the continuum of space or spacetime. Lattice models originally occurred in the context of condensed matter physics, where the atoms of a crystal automatically form a lattice. Currently, lattice models are quite popular in theoretical physics, for many reasons. Some models are exactly solvable, and thus offer insight into physics beyond what can be learned from perturbation theory.
Matrix (mathematics)In mathematics, a matrix (plural matrices) is a rectangular array or table of numbers, symbols, or expressions, arranged in rows and columns, which is used to represent a mathematical object or a property of such an object. For example, is a matrix with two rows and three columns. This is often referred to as a "two by three matrix", a " matrix", or a matrix of dimension . Without further specifications, matrices represent linear maps, and allow explicit computations in linear algebra.
Invertible matrixIn linear algebra, an n-by-n square matrix A is called invertible (also nonsingular, nondegenerate or (rarely used) regular), if there exists an n-by-n square matrix B such that where In denotes the n-by-n identity matrix and the multiplication used is ordinary matrix multiplication. If this is the case, then the matrix B is uniquely determined by A, and is called the (multiplicative) inverse of A, denoted by A−1. Matrix inversion is the process of finding the matrix B that satisfies the prior equation for a given invertible matrix A.
