Holstein–Herring Method
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Holstein–Herring Method
The Holstein– Herring method, also called the surface Integral method, or Smirnov's method is an effective means of getting the exchange energy splittings of asymptotically degenerate energy states in molecular systems. Although the exchange energy becomes elusive at large internuclear systems, it is of prominent importance in theories of molecular binding and magnetism. This splitting results from the symmetry under exchange of identical nuclei (Pauli exclusion principle). Theory The basic idea pioneered by Holstein and Herring approach can be illustrated for the hydrogen molecular ion or more generally, atom-ion systems or '' one-active electron'' systems, as follows. We consider states that are represented by even or odd functions with respect to behavior under space inversion. This is denoted with the suffixes g and u from the German ''gerade'' and ''ungerade'' and are standard practice for the designation of electronic states of diatomic molecules, whereas for atomic states ...
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Conyers Herring
William Conyers Herring (November 15, 1914 – July 23, 2009) was an American physicist. He was a Professor of Applied Physics at Stanford University and the Wolf Prize in Physics recipient in 1984/5. Academic career Conyers Herring completed his Ph.D. in physics from Princeton University in 1937, submitting a dissertation entitled ''On Energy Coincidences in the Theory of Brillouin Zones'' under the direction of Eugene Wigner. In 1946, he joined the technical staff of Bell Laboratories in Murray Hill, New Jersey, where he remained until 1978. Then, he joined the faculty at Stanford University. Contributions Conyers Herring played a major role in the development of solid state physics. He laid the foundations of band structure calculations of metals and semiconductors, culminating in the discovery of the Orthogonalized Plane Wave Method (O.P.W.) in 1940. He was years ahead of his time in this contribution. A great deal of modern solid state physics as produced today stems from ...
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Jan Peter Toennies
Jan Peter Toennies (born 3 May 1930) is an American scientist and former director of the Max Planck Institute for Dynamics and Self-Organization. Early life and education He was born in Philadelphia, Pennsylvania to German immigrant parents. He is the grandson of sociologist Ferdinand Tönnies. He graduated from Lower Merion High School, outside of Philadelphia in 1948, from Amherst College, with a B.A. in 1952, and from Brown University, with a Ph.D. in chemistry in 1957. During graduate school he was a Fulbright student in Göttingen 1953–1954. Career Prizes and special recognition *1964 Physics Prize of the Academy of Sciences, Göttingen *1983 "Fellow" of the American Physical Society *1988 Alumni Citation, Brown University *1990 Corresponding Member of the Academy of Sciences in Göttingen *1991 Gold Heyrovsky Medal of the Czech Academy of Sciences *1992 Hewlett-Packard Europhysics Prize for solid state physics *1992 Max-Planck Prize of the Germany Research Society a ...
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Quantum Tunneling
In physics, a quantum (plural quanta) is the minimum amount of any physical entity (physical property) involved in an interaction. The fundamental notion that a physical property can be "quantized" is referred to as "the hypothesis of quantization". This means that the magnitude of the physical property can take on only discrete values consisting of integer multiples of one quantum. For example, a photon is a single quantum of light (or of any other form of electromagnetic radiation). Similarly, the energy of an electron bound within an atom is quantized and can exist only in certain discrete values. (Atoms and matter in general are stable because electrons can exist only at discrete energy levels within an atom.) Quantization is one of the foundations of the much broader physics of quantum mechanics. Quantization of energy and its influence on how energy and matter interact (quantum electrodynamics) is part of the fundamental framework for understanding and describing nature. ...
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Hydrogen Molecular Ion
The dihydrogen cation or hydrogen molecular ion is a cation (positive ion) with formula . It consists of two hydrogen nuclei (protons) sharing a single electron. It is the simplest molecular ion. The ion can be formed from the ionization of a neutral hydrogen molecule . It is commonly formed in molecular clouds in space, by the action of cosmic rays. The dihydrogen cation is of great historical and theoretical interest because, having only one electron, the equations of quantum mechanics that describe its structure can be solved in a relatively straightforward way. The first such solution was derived by Ø. Burrau in 1927, just one year after the wave theory of quantum mechanics was published. Physical properties Bonding in can be described as a covalent one-electron bond, which has a formal bond order of one half. The ground state energy of the ion is -0.597 Hartree. Isotopologues The dihydrogen cation has six isotopologues, that result from replacement of one or ...
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Exchange Symmetry
In quantum mechanics, identical particles (also called indistinguishable or indiscernible particles) are particles that cannot be distinguished from one another, even in principle. Species of identical particles include, but are not limited to, elementary particles (such as electrons), composite subatomic particles (such as atomic nuclei), as well as atoms and molecules. Quasiparticles also behave in this way. Although all known indistinguishable particles only exist at the quantum scale, there is no exhaustive list of all possible sorts of particles nor a clear-cut limit of applicability, as explored in quantum statistics. There are two main categories of identical particles: bosons, which can share quantum states, and fermions, which cannot (as described by the Pauli exclusion principle). Examples of bosons are photons, gluons, phonons, helium-4 nuclei and all mesons. Examples of fermions are electrons, neutrinos, quarks, protons, neutrons, and helium-3 nuclei. The fact that ...
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Delta Potential
In quantum mechanics the delta potential is a potential well mathematically described by the Dirac delta function - a generalized function. Qualitatively, it corresponds to a potential which is zero everywhere, except at a single point, where it takes an infinite value. This can be used to simulate situations where a particle is free to move in two regions of space with a barrier between the two regions. For example, an electron can move almost freely in a conducting material, but if two conducting surfaces are put close together, the interface between them acts as a barrier for the electron that can be approximated by a delta potential. The delta potential well is a limiting case of the finite potential well, which is obtained if one maintains the product of the width of the well and the potential constant while decreasing the well's width and increasing the potential. This article, for simplicity, only considers a one-dimensional potential well, but analysis could be expanded t ...
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Path Integral Formulation
The path integral formulation is a description in quantum mechanics that generalizes the action principle of classical mechanics. It replaces the classical notion of a single, unique classical trajectory for a system with a sum, or functional integral, over an infinity of quantum-mechanically possible trajectories to compute a quantum amplitude. This formulation has proven crucial to the subsequent development of theoretical physics, because manifest Lorentz covariance (time and space components of quantities enter equations in the same way) is easier to achieve than in the operator formalism of canonical quantization. Unlike previous methods, the path integral allows one to easily change coordinates between very different canonical descriptions of the same quantum system. Another advantage is that it is in practice easier to guess the correct form of the Lagrangian of a theory, which naturally enters the path integrals (for interactions of a certain type, these are ''coordi ...
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Instanton
An instanton (or pseudoparticle) is a notion appearing in theoretical and mathematical physics. An instanton is a classical solution to equations of motion with a finite, non-zero action, either in quantum mechanics or in quantum field theory. More precisely, it is a solution to the equations of motion of the classical field theory on a Euclidean spacetime. In such quantum theories, solutions to the equations of motion may be thought of as critical points of the action. The critical points of the action may be local maxima of the action, local minima, or saddle points. Instantons are important in quantum field theory because: * they appear in the path integral as the leading quantum corrections to the classical behavior of a system, and * they can be used to study the tunneling behavior in various systems such as a Yang–Mills theory. Relevant to dynamics, families of instantons permit that instantons, i.e. different critical points of the equation of motion, be related ...
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Sidney Coleman
Sidney Richard Coleman (7 March 1937 – 18 November 2007) was an American theoretical physicist noted for his research in high-energy theoretical physics. Life and work Sidney Coleman grew up on the Far North Side of Chicago. In 1957, he received his undergraduate degree from the Illinois Institute of Technology physics department. Coleman received his Ph.D. from the California Institute of Technology in 1962, where he was advised by Murray Gell-Mann. He moved to Harvard University that year, where he spent his entire career, meeting his wife Diana there in the late 1970s. They were married in 1982. "He was a giant in a peculiar sense, because he's not known to the general populace," Nobel laureate Sheldon Glashow told the Boston Globe. "He's not a Stephen Hawking; he has virtually no visibility outside. But within the community of theoretical physicists, he's kind of a major god. He is the physicist's physicist." In 1966, Antonino Zichichi recruited Coleman as a lec ...
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Quantum Tunnelling
Quantum tunnelling, also known as tunneling ( US) is a quantum mechanical phenomenon whereby a wavefunction can propagate through a potential barrier. The transmission through the barrier can be finite and depends exponentially on the barrier height and barrier width. The wavefunction may disappear on one side and reappear on the other side. The wavefunction and its first derivative are continuous. In steady-state, the probability flux in the forward direction is spatially uniform. No particle or wave is lost. Tunneling occurs with barriers of thickness around 1–3 nm and smaller. Some authors also identify the mere penetration of the wavefunction into the barrier, without transmission on the other side as a tunneling effect. Quantum tunneling is not predicted by the laws of classical mechanics where surmounting a potential barrier requires sufficient kinetic energy. Quantum tunneling plays an essential role in physical phenomena such as nuclear fusion and alpha radi ...
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Physical Review
''Physical Review'' is a peer-reviewed scientific journal established in 1893 by Edward Nichols. It publishes original research as well as scientific and literature reviews on all aspects of physics. It is published by the American Physical Society (APS). The journal is in its third series, and is split in several sub-journals each covering a particular field of physics. It has a sister journal, '' Physical Review Letters'', which publishes shorter articles of broader interest. History ''Physical Review'' commenced publication in July 1893, organized by Cornell University professor Edward Nichols and helped by the new president of Cornell, J. Gould Schurman. The journal was managed and edited at Cornell in upstate New York from 1893 to 1913 by Nichols, Ernest Merritt, and Frederick Bedell. The 33 volumes published during this time constitute ''Physical Review Series I''. The American Physical Society (APS), founded in 1899, took over its publication in 1913 and sta ...
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Chemical Physics Letters
''Chemical Physics Letters'' is a biweekly peer-reviewed scientific journal covering research in chemical physics and physical chemistry. It was established in 1967 and is published by Elsevier. The editors-in-chief An editor-in-chief (EIC), also known as lead editor or chief editor, is a publication's editorial leader who has final responsibility for its operations and policies. The highest-ranking editor of a publication may also be titled editor, managing ... are David C. Clary, B. Dietzek, K-L. Han, anA. Karton External links * Chemical physics journals Publications established in 1967 Elsevier academic journals English-language journals {{chem-journal-stub ...
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