Quantum chemistryQuantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
Periodic functionA periodic function or cyclic function is a function that repeats its values at regular intervals. For example, the trigonometric functions, which repeat at intervals of radians, are periodic functions. Periodic functions are used throughout science to describe oscillations, waves, and other phenomena that exhibit periodicity. Any function that is not periodic is called aperiodic. A function f is said to be periodic if, for some nonzero constant P, it is the case that for all values of x in the domain.
Pilot wave theoryIn theoretical physics, the pilot wave theory, also known as Bohmian mechanics, was the first known example of a hidden-variable theory, presented by Louis de Broglie in 1927. Its more modern version, the de Broglie–Bohm theory, interprets quantum mechanics as a deterministic theory, avoiding troublesome notions such as wave–particle duality, instantaneous wave function collapse, and the paradox of Schrödinger's cat. To solve these problems, the theory is inherently nonlocal.
Spherical basisIn pure and applied mathematics, particularly quantum mechanics and computer graphics and their applications, a spherical basis is the basis used to express spherical tensors. The spherical basis closely relates to the description of angular momentum in quantum mechanics and spherical harmonic functions. While spherical polar coordinates are one orthogonal coordinate system for expressing vectors and tensors using polar and azimuthal angles and radial distance, the spherical basis are constructed from the standard basis and use complex numbers.
WaveIn physics, mathematics, engineering, and related fields, a wave is a propagating dynamic disturbance (change from equilibrium) of one or more quantities. Waves can be periodic, in which case those quantities oscillate repeatedly about an equilibrium (resting) value at some frequency. When the entire waveform moves in one direction, it is said to be a traveling wave; by contrast, a pair of superimposed periodic waves traveling in opposite directions makes a standing wave.
Hydrogen bondIn chemistry, a hydrogen bond (or H-bond) is a primarily electrostatic force of attraction between a hydrogen (H) atom which is covalently bound to a more electronegative "donor" atom or group (Dn), and another electronegative atom bearing a lone pair of electrons—the hydrogen bond acceptor (Ac). Such an interacting system is generally denoted , where the solid line denotes a polar covalent bond, and the dotted or dashed line indicates the hydrogen bond.
Sine waveA sine wave, sinusoidal wave, or sinusoid is a mathematical curve defined in terms of the sine trigonometric function, of which it is the graph. It is a type of continuous wave and also a smooth periodic function. It occurs often in mathematics, as well as in physics, engineering, signal processing and many other fields. Its most basic form as a function of time (t) is: where: A, amplitude, the peak deviation of the function from zero. f, ordinary frequency, the number of oscillations (cycles) that occur each second of time.
Schrödinger equationThe Schrödinger equation is a linear partial differential equation that governs the wave function of a quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. The equation is named after Erwin Schrödinger, who postulated the equation in 1925 and published it in 1926, forming the basis for the work that resulted in his Nobel Prize in Physics in 1933. Conceptually, the Schrödinger equation is the quantum counterpart of Newton's second law in classical mechanics.
Coordinate systemIn geometry, a coordinate system is a system that uses one or more numbers, or coordinates, to uniquely determine the position of the points or other geometric elements on a manifold such as Euclidean space. The order of the coordinates is significant, and they are sometimes identified by their position in an ordered tuple and sometimes by a letter, as in "the x-coordinate". The coordinates are taken to be real numbers in elementary mathematics, but may be complex numbers or elements of a more abstract system such as a commutative ring.
Spherical capIn geometry, a spherical cap or spherical dome is a portion of a sphere or of a ball cut off by a plane. It is also a spherical segment of one base, i.e., bounded by a single plane. If the plane passes through the center of the sphere (forming a great circle), so that the height of the cap is equal to the radius of the sphere, the spherical cap is called a hemisphere.
HydrogenHydrogen is the chemical element with the symbol H and atomic number 1. Hydrogen is the lightest element. At standard conditions hydrogen is a gas of diatomic molecules having the formula . It is colorless, odorless, tasteless, non-toxic, and highly combustible. Hydrogen is the most abundant chemical substance in the universe, constituting roughly 75% of all normal matter. Stars such as the Sun are mainly composed of hydrogen in the plasma state. Most of the hydrogen on Earth exists in molecular forms such as water and organic compounds.
Homogeneous coordinatesIn mathematics, homogeneous coordinates or projective coordinates, introduced by August Ferdinand Möbius in his 1827 work Der barycentrische Calcul, are a system of coordinates used in projective geometry, just as Cartesian coordinates are used in Euclidean geometry. They have the advantage that the coordinates of points, including points at infinity, can be represented using finite coordinates. Formulas involving homogeneous coordinates are often simpler and more symmetric than their Cartesian counterparts.
