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UK Molecular R-matrix Codes
The UK Molecular R-Matrix codes are a set of software routines used to calculate the effects of collision of electrons with atoms and molecules. The R-matrix method is used in computational quantum mechanics to study scattering of positrons and electrons by atomic and molecular targets. The fundamental idea was originally introduced by Eugene Wigner Eugene Paul "E. P." Wigner ( hu, Wigner Jenő Pál, ; November 17, 1902 – January 1, 1995) was a Hungarian-American theoretical physicist who also contributed to mathematical physics. He received the Nobel Prize in Physics in 1963 "for his con ... and Leonard Eisenbud in the 1940s. The method works by fixed nuclei approximation, where the molecule's nuclei are considered fixed when collision occurs and the electronic part of the problem is solved. This information is then plugged into calculations which take into account nuclear motion. The UK Molecular R-Matrix codes were developed by the Collaborative Computational Project Q (CC ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
R-matrix
The term R-matrix has several meanings, depending on the field of study. The term R-matrix is used in connection with the Yang–Baxter equation. This is an equation which was first introduced in the field of statistical mechanics, taking its name from independent work of C. N. Yang and R. J. Baxter. The classical R-matrix arises in the definition of the classical Yang–Baxter equation. In quasitriangular Hopf algebra, the R-matrix is a solution of the Yang–Baxter equation. The numerical modeling of diffraction gratings in optical science can be performed using the R-matrix propagation algorithm. R-matrix method in quantum mechanics There is a method in computational quantum mechanics for studying scattering known as the R-matrix. This method was originally formulated for studying resonances in nuclear scattering by Wigner and Eisenbud. Using that work as a basis, an R-matrix method was developed for electron, positron and photon scattering by atoms. This approac ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Mechanics
Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales. Most theories in classical physics can be derived from quantum mechanics as an approximation valid at large (macroscopic) scale. Quantum mechanics differs from classical physics in that energy, momentum, angular momentum, and other quantities of a bound system are restricted to discrete values ( quantization); objects have characteristics of both particles and waves (wave–particle duality); and there are limits to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Scattering
Scattering is a term used in physics to describe a wide range of physical processes where moving particles or radiation of some form, such as light or sound, are forced to deviate from a straight trajectory by localized non-uniformities (including particles and radiation) in the medium through which they pass. In conventional use, this also includes deviation of reflected radiation from the angle predicted by the law of reflection. Reflections of radiation that undergo scattering are often called ''diffuse reflections'' and unscattered reflections are called ''specular'' (mirror-like) reflections. Originally, the term was confined to light scattering (going back at least as far as Isaac Newton in the 17th century). As more "ray"-like phenomena were discovered, the idea of scattering was extended to them, so that William Herschel could refer to the scattering of "heat rays" (not then recognized as electromagnetic in nature) in 1800. John Tyndall, a pioneer in light scattering researc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Positron
The positron or antielectron is the antiparticle or the antimatter counterpart of the electron. It has an electric charge of +1 '' e'', a spin of 1/2 (the same as the electron), and the same mass as an electron. When a positron collides with an electron, annihilation occurs. If this collision occurs at low energies, it results in the production of two or more photons. Positrons can be created by positron emission radioactive decay (through weak interactions), or by pair production from a sufficiently energetic photon which is interacting with an atom in a material. History Theory In 1928, Paul Dirac published a paper proposing that electrons can have both a positive and negative charge. This paper introduced the Dirac equation, a unification of quantum mechanics, special relativity, and the then-new concept of electron spin to explain the Zeeman effect. The paper did not explicitly predict a new particle but did allow for electrons having either positive or negative ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Eugene Wigner
Eugene Paul "E. P." Wigner ( hu, Wigner Jenő Pál, ; November 17, 1902 – January 1, 1995) was a Hungarian-American theoretical physicist who also contributed to mathematical physics. He received the Nobel Prize in Physics in 1963 "for his contributions to the theory of the atomic nucleus and the elementary particles, particularly through the discovery and application of fundamental symmetry principles". A graduate of the Technical University of Berlin, Wigner worked as an assistant to Karl Weissenberg and Richard Becker at the Kaiser Wilhelm Institute in Berlin, and David Hilbert at the University of Göttingen. Wigner and Hermann Weyl were responsible for introducing group theory into physics, particularly the theory of symmetry in physics. Along the way he performed ground-breaking work in pure mathematics, in which he authored a number of mathematical theorems. In particular, Wigner's theorem is a cornerstone in the mathematical formulation of quantum mechanics. He is also ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Collaborative Computational Project Q
Collaborative Computational Project Q (CCPQ) was developed in order to provide software which uses theoretical techniques to catalogue collisions between electrons, positrons or photons and atomic/molecular targets. The 'Q' stands for quantum dynamics. This project is accessible via the CCPForge website, which contains numerous other projects such as CCP2 and CCP4. The scope has increased to include atoms and molecules in strong (long-pulse and attosecond) laser fields, low-energy interactions of antihydrogen with small atoms and molecules, cold atoms, Bose–Einstein condensates and optical lattices. CCPQ gives essential information on the reactivity of various molecules, and contains two community codes R-matrix suite and MCTDH wavepacket dynamics. The project is supported by the Atomic and Molecular Physics group at Daresbury Laboratory, which supports research in core computational and scientific codes and research. This project is a collaboration between University College ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
CCPQ
Collaborative Computational Project Q (CCPQ) was developed in order to provide software which uses theoretical techniques to catalogue collisions between electrons, positrons or photons and atomic/molecular targets. The 'Q' stands for quantum dynamics. This project is accessible via the CCPForge website, which contains numerous other projects such as CCP2 and CCP4. The scope has increased to include atoms and molecules in strong (long-pulse and attosecond) laser fields, low-energy interactions of antihydrogen with small atoms and molecules, cold atoms, Bose–Einstein condensates and optical lattices. CCPQ gives essential information on the reactivity of various molecules, and contains two community codes R-matrix suite and MCTDH wavepacket dynamics. The project is supported by the Atomic and Molecular Physics group at Daresbury Laboratory, which supports research in core computational and scientific codes and research. This project is a collaboration between University College ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantemol
Quantemol Ltd is based in University College London initiated by Professor Jonathan Tennyson FRS and Dr. Daniel Brown in 2004. The company initially developed a unique software tool, Quantemol-N, which provides full accessibility to the highly sophisticated UK molecular R-matrix codes, used to model electron polyatomic molecule interactions. Since then Quantemol has widened to further types of simulation, with plasmas and industrial plasma tools, in Quantemol-VT in 2013 and launched in 2016 a sustainable database Quantemol-DB, representing the chemical and radiative transport properties of a wide range of plasmas. Quantemol-N The Quantemol-N software system has been developed to simplify use of UK R-matrix codes. It provides an interface for non specialists to perform ab initio electron-molecule scattering calculations. Quantemol-N calculates a variety of observables for electron molecule collisions including: * Elastic cross sections * Electronic excitation cross section ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Matrices
Matrix most commonly refers to: * ''The Matrix'' (franchise), an American media franchise ** ''The Matrix'', a 1999 science-fiction action film ** "The Matrix", a fictional setting, a virtual reality environment, within ''The Matrix'' (franchise) * Matrix (mathematics), a rectangular array of numbers, symbols or expressions Matrix (or its plural form matrices) may also refer to: Science and mathematics * Matrix (mathematics), algebraic structure, extension of vector into 2 dimensions * Matrix (logic), part of a formula in prenex normal form * Matrix (biology), the material in between a eukaryotic organism's cells * Matrix (chemical analysis), the non-analyte components of a sample * Matrix (geology), the fine-grained material in which larger objects are embedded * Matrix (composite), the constituent of a composite material * Hair matrix, produces hair * Nail matrix, part of the nail in anatomy Arts and entertainment Fictional entities * Matrix (comics), two comic book ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Particle Physics
Particle physics or high energy physics is the study of fundamental particles and forces that constitute matter and radiation. The fundamental particles in the universe are classified in the Standard Model as fermions (matter particles) and bosons (force-carrying particles). There are three generations of fermions, but ordinary matter is made only from the first fermion generation. The first generation consists of up and down quarks which form protons and neutrons, and electrons and electron neutrinos. The three fundamental interactions known to be mediated by bosons are electromagnetism, the weak interaction, and the strong interaction. Quarks cannot exist on their own but form hadrons. Hadrons that contain an odd number of quarks are called baryons and those that contain an even number are called mesons. Two baryons, the proton and the neutron, make up most of the mass of ordinary matter. Mesons are unstable and the longest-lived last for only a few hundredths of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
