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.
Probability density functionIn probability theory, a probability density function (PDF), density function, or density of an absolutely continuous random variable, is a function whose value at any given sample (or point) in the sample space (the set of possible values taken by the random variable) can be interpreted as providing a relative likelihood that the value of the random variable would be equal to that sample.
Wave packetIn physics, a wave packet (also known as a wave train or wave group) is a short burst of localized wave action that travels as a unit, outlined by an envelope. A wave packet can be analyzed into, or can be synthesized from, a potentially-infinite set of component sinusoidal waves of different wavenumbers, with phases and amplitudes such that they interfere constructively only over a small region of space, and destructively elsewhere.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Probability mass functionIn probability and statistics, a probability mass function is a function that gives the probability that a discrete random variable is exactly equal to some value. Sometimes it is also known as the discrete probability density function. The probability mass function is often the primary means of defining a discrete probability distribution, and such functions exist for either scalar or multivariate random variables whose domain is discrete.
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.
Harmonic oscillatorIn classical mechanics, a harmonic oscillator is a system that, when displaced from its equilibrium position, experiences a restoring force F proportional to the displacement x: where k is a positive constant. If F is the only force acting on the system, the system is called a simple harmonic oscillator, and it undergoes simple harmonic motion: sinusoidal oscillations about the equilibrium point, with a constant amplitude and a constant frequency (which does not depend on the amplitude).
Probability distributionIn probability theory and statistics, a probability distribution is the mathematical function that gives the probabilities of occurrence of different possible outcomes for an experiment. It is a mathematical description of a random phenomenon in terms of its sample space and the probabilities of events (subsets of the sample space). For instance, if X is used to denote the outcome of a coin toss ("the experiment"), then the probability distribution of X would take the value 0.5 (1 in 2 or 1/2) for X = heads, and 0.
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.
Probability currentIn quantum mechanics, the probability current (sometimes called probability flux) is a mathematical quantity describing the flow of probability. Specifically, if one thinks of probability as a heterogeneous fluid, then the probability current is the rate of flow of this fluid. It is a real vector that changes with space and time. Probability currents are analogous to mass currents in hydrodynamics and electric currents in electromagnetism. As in those fields, the probability current (i.e.
Electronic oscillatorAn electronic oscillator is an electronic circuit that produces a periodic, oscillating or alternating current (AC) signal, usually a sine wave, square wave or a triangle wave, powered by a direct current (DC) source. Oscillators are found in many electronic devices, such as radio receivers, television sets, radio and television broadcast transmitters, computers, computer peripherals, cellphones, radar, and many other devices.
Search engineA search engine is a software system that finds web pages that match a web search. They search the World Wide Web in a systematic way for particular information specified in a textual web search query. The search results are generally presented in a line of results, often referred to as search engine results pages (SERPs). The information may be a mix of hyperlinks to web pages, images, videos, infographics, articles, and other types of files. Some search engines also mine data available in databases or open directories.
Google SearchGoogle Search (also known simply as Google or Google.com) is a search engine provided and operated by Google. Handling more than 3.5 billion searches per day, it has a 92% share of the global search engine market. It is the most-visited website in the world. Additionally, it is the most searched and used search engine in the entire world. The order of search results returned by Google is based, in part, on a priority rank system called "PageRank".
SpaceXSpace Exploration Technologies Corp., doing business as SpaceX, is an American spacecraft manufacturer, launch service provider and satellite communications company headquartered in Hawthorne, California. The company was founded in 2002 by Elon Musk with the goal of reducing space transportation costs and to colonize Mars. The company manufactures the Falcon 9, Falcon Heavy and Starship heavy-lift launch vehicles, the Cargo Dragon and Crew Dragon spacecraft, the Starlink mega-constellation satellite and rocket engines.
NASAThe National Aeronautics and Space Administration (NASA ˈnæsə) is an independent agency of the U.S. federal government responsible for the civil space program, aeronautics research, and space research. Established in 1958, NASA succeeded the National Advisory Committee for Aeronautics (NACA) to give the U.S. space development effort a distinctly civilian orientation, emphasizing peaceful applications in space science.
Outer spaceOuter space, commonly referred to simply as space, is the expanse that exists beyond Earth and its atmosphere and between celestial bodies. Outer space is not completely empty; it is a near-perfect vacuum containing a low density of particles, predominantly a plasma of hydrogen and helium as well as electromagnetic radiation, magnetic fields, neutrinos, dust, and cosmic rays. The baseline temperature of outer space, as set by the background radiation from the Big Bang, is .
Space ShuttleThe Space Shuttle is a retired, partially reusable low Earth orbital spacecraft system operated from 1981 to 2011 by the U.S. National Aeronautics and Space Administration (NASA) as part of the Space Shuttle program. Its official program name was Space Transportation System (STS), taken from a 1969 plan for a system of reusable spacecraft where it was the only item funded for development. The first (STS-1) of four orbital test flights occurred in 1981, leading to operational flights (STS-5) beginning in 1982.
Space RaceThe Space Race was a 20th-century competition between two Cold War rivals, the United States and the Soviet Union, to achieve superior spaceflight capability. It had its origins in the ballistic missile-based nuclear arms race between the two nations following World War II. The technological advantage demonstrated by spaceflight achievement was seen as necessary for national security, and became part of the symbolism and ideology of the time.
Simple harmonic motionIn mechanics and physics, simple harmonic motion (sometimes abbreviated ()) is a special type of periodic motion an object experiences due to a restoring force whose magnitude is directly proportional to the distance of the object from an equilibrium position and acts towards the equilibrium position. It results in an oscillation that is described by a sinusoid which continues indefinitely (if uninhibited by friction or any other dissipation of energy).
Microsoft BingMicrosoft Bing (commonly known as Bing) is a web search engine owned and operated by Microsoft. The service has its origins in Microsoft's previous search engines: MSN Search, Windows Live Search and later Live Search. Bing provides a variety of search services, including web, video, image and map search products. It is developed using ASP.NET. Bing, Microsoft's replacement for Live Search, was unveiled by Microsoft CEO Steve Ballmer on May 28, 2009, at the All Things Digital conference in San Diego, California, for release on June 3, 2009.
