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Helium Atom
A helium atom is an atom of the chemical element helium. Helium is composed of two electrons bound by the electromagnetic force to a nucleus containing two protons along with two neutrons, depending on the isotope, held together by the strong force. Unlike for hydrogen, a closed-form solution to the Schrödinger equation for the helium atom has not been found. However, various approximations, such as the Hartree–Fock method, can be used to estimate the ground state energy and wavefunction of the atom. Historically, the first attempt to obtain the helium spectrum from quantum mechanics was done by Albrecht Unsöld in 1927. Egil Hylleraas obtained an accurate approximation in 1929. Its success was considered to be one of the earliest signs of validity of Schrödinger's wave mechanics. Introduction The quantum mechanical description of the helium atom is of special interest, because it is the simplest multi-electron system and can be used to understand the concept of q ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
National Center For Biotechnology Information
The National Center for Biotechnology Information (NCBI) is part of the National Library of Medicine (NLM), a branch of the National Institutes of Health (NIH). It is approved and funded by the government of the United States. The NCBI is located in Bethesda, Maryland, and was founded in 1988 through legislation sponsored by US Congressman Claude Pepper. The NCBI houses a series of databases relevant to biotechnology and biomedicine and is an important resource for bioinformatics tools and services. Major databases include GenBank for DNA sequences and PubMed, a bibliographic database for biomedical literature. Other databases include the NCBI Epigenomics database. All these databases are available online through the Entrez search engine. NCBI was directed by David Lipman, one of the original authors of the BLAST sequence alignment program and a widely respected figure in bioinformatics. GenBank NCBI had responsibility for making available the GenBank DNA seque ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hamiltonian (quantum Mechanics)
In quantum mechanics, the Hamiltonian of a system is an operator corresponding to the total energy of that system, including both kinetic energy and potential energy. Its spectrum, the system's ''energy spectrum'' or its set of ''energy eigenvalues'', is the set of possible outcomes obtainable from a measurement of the system's total energy. Due to its close relation to the energy spectrum and time-evolution of a system, it is of fundamental importance in most formulations of quantum theory. The Hamiltonian is named after William Rowan Hamilton, who developed a revolutionary reformulation of Newtonian mechanics, known as Hamiltonian mechanics, which was historically important to the development of quantum physics. Similar to vector notation, it is typically denoted by \hat, where the hat indicates that it is an operator. It can also be written as H or \check. Introduction The Hamiltonian of a system represents the total energy of the system; that is, the sum of the kine ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Breit Equation
The Breit equation, or Dirac–Coulomb–Breit equation, is a relativistic wave equation derived by Gregory Breit in 1929 based on the Dirac equation, which formally describes two or more massive spin-1/2 particles (electrons, for example) interacting electromagnetically to the first order in perturbation theory. It accounts for magnetic interactions and retardation effects to the order of 1/''c''2. When other quantum electrodynamic effects are negligible, this equation has been shown to give results in good agreement with experiment. It was originally derived from the Darwin Lagrangian but later vindicated by the Wheeler–Feynman absorber theory and eventually quantum electrodynamics. Introduction The Breit equation is not only an approximation in terms of quantum mechanics, but also in terms of relativity theory as it is not completely invariant with respect to the Lorentz transformation. Just as does the Dirac equation, it treats nuclei as point sources of an external field ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Exchange Energy
In chemistry and physics, the exchange interaction is a quantum mechanical constraint on the states of indistinguishable particles. While sometimes called an exchange force, or, in the case of fermions, Pauli repulsion, its consequences cannot always be predicted based on classical ideas of force. Both bosons and fermions can experience the exchange interaction. The wave function of indistinguishable particles is subject to exchange symmetry: the wave function either changes sign (for fermions) or remains unchanged (for bosons) when two particles are exchanged. The exchange symmetry alters the expectation value of the distance between two indistinguishable particles when their wave functions overlap. For fermions the expectation value of the distance increases, and for bosons it decreases (compared to distinguishable particles). The exchange interaction arises from the combination of exchange symmetry and the Coulomb interaction. For an electron in an electron gas, the excha ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Shielding Effect
In chemistry, the shielding effect sometimes referred to as atomic shielding or electron shielding describes the attraction between an electron and the nucleus in any atom with more than one electron. The shielding effect can be defined as a reduction in the effective nuclear charge on the electron cloud, due to a difference in the attraction forces on the electrons in the atom. It is a special case of electric-field screening. This effect also has some significance in many projects in material sciences. Strength per electron shell or orbital The wider the electron shells are in space, the weaker is the electric interaction between the electrons and the nucleus due to screening. Further, because of differences in orbital penetration, we can order the screening strength, ''S'', that electrons in a given orbital (s, p, d, or f) provide to the rest of the electrons thus: S(\mathrm) > S(\mathrm) > S(\mathrm) > S(\mathrm) . Description In hydrogen, or any other atom in group 1 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Variational Principle
A variational principle is a mathematical procedure that renders a physical problem solvable by the calculus of variations, which concerns finding functions that optimize the values of quantities that depend on those functions. For example, the problem of determining the shape of a hanging chain suspended at both ends—a catenary—can be solved using variational calculus, and in this case, the variational principle is the following: The solution is a function that minimizes the gravitational potential energy of the chain. History Physics The history of the variational principle in classical mechanics started with Maupertuis's principle in the 18th century. Math Felix Klein's 1872 Erlangen program attempted to identify invariants under a group of transformations. Examples In mathematics * Ekeland's variational principle in mathematical optimization * The finite element method * The variation principle relating topological entropy and Kolmogorov-Sinai entropy. In physics * ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Many-body Problem
The many-body problem is a general name for a vast category of physical problems pertaining to the properties of microscopic systems made of many interacting particles. Terminology ''Microscopic'' here implies that quantum mechanics has to be used to provide an accurate description of the system. ''Many'' can be anywhere from three to infinity (in the case of a practically infinite, homogeneous or periodic system, such as a crystal), although three- and four-body systems can be treated by specific means (respectively the Faddeev and Faddeev–Yakubovsky equations) and are thus sometimes separately classified as few-body systems. Explanation of the problem In general terms, while the underlying physical laws that govern the motion of each individual particle may (or may not) be simple, the study of the collection of particles can be extremely complex. In such a quantum system, the repeated interactions between particles create quantum correlations, or entanglement. As a consequ ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pauli Exclusion Principle
In quantum mechanics, the Pauli exclusion principle (German: Pauli-Ausschlussprinzip) states that two or more identical particles with half-integer spins (i.e. fermions) cannot simultaneously occupy the same quantum state within a system that obeys the laws of quantum mechanics. This principle was formulated by Austrian physicist Wolfgang Pauli in 1925 for electrons, and later extended to all fermions with his spin–statistics theorem of 1940. In the case of electrons in atoms, the exclusion principle can be stated as follows: in a poly-electron atom it is impossible for any two electrons to have the same two values of ''all'' four of their quantum numbers, which are: ''n'', the principal quantum number; ', the azimuthal quantum number; ''m'', the magnetic quantum number; and ''ms'', the spin quantum number. For example, if two electrons reside in the same orbital, then their values of ''n'', ', and ''m'' are equal. In that case, the two values of ''m''s (spin) pair must be ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Angular Momentum Coupling
In quantum mechanics, angular momentum coupling is the procedure of constructing eigenstates of total angular momentum out of eigenstates of separate angular momenta. For instance, the orbit and spin of a single particle can interact through spin–orbit interaction, in which case the complete physical picture must include spin–orbit coupling. Or two charged particles, each with a well-defined angular momentum, may interact by Electrostatic#Coulomb's law, Coulomb forces, in which case coupling of the two one-particle angular momenta to a total angular momentum is a useful step in the solution of the two-particle Schrödinger equation. In both cases the separate angular momenta are no longer constants of motion, but the sum of the two angular momenta usually still is. Angular momentum coupling in atoms is of importance in atomic spectroscopy. Angular momentum coupling of electron spins is of importance in quantum chemistry. Also in the nuclear shell model angular momentum co ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Relativistic Quantum Chemistry
Relativistic quantum chemistry combines relativistic mechanics with quantum chemistry to calculate elemental properties and structure, especially for the heavier elements of the periodic table. A prominent example is an explanation for the color of gold: due to relativistic effects, it is not silvery like most other metals. The term ''relativistic effects'' was developed in light of the history of quantum mechanics. Initially, quantum mechanics was developed without considering the theory of relativity. Relativistic effects are those discrepancies between values calculated by models that consider relativity and those that do not. Relativistic effects are important for heavier elements with high atomic numbers, such as lanthanides and actinides. Relativistic effects in chemistry can be considered to be perturbations, or small corrections, to the non-relativistic theory of chemistry, which is developed from the solutions of the Schrödinger equation. These corrections affect the el ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tensor Operator
In pure and applied mathematics, quantum mechanics and computer graphics, a tensor operator generalizes the notion of operators which are scalars and vectors. A special class of these are spherical tensor operators which apply the notion of the spherical basis and spherical harmonics. The spherical basis closely relates to the description of angular momentum in quantum mechanics and spherical harmonic functions. The coordinate-free generalization of a tensor operator is known as a representation operator. The general notion of scalar, vector, and tensor operators In quantum mechanics, physical observables that are scalars, vectors, and tensors, must be represented by scalar, vector, and tensor operators, respectively. Whether something is a scalar, vector, or tensor depends on how it is viewed by two observers whose coordinate frames are related to each other by a rotation. Alternatively, one may ask how, for a single observer, a physical quantity transforms if the state of the ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Spinor
In geometry and physics, spinors (pronounced "spinner" IPA ) are elements of a complex numbers, complex vector space that can be associated with Euclidean space. A spinor transforms linearly when the Euclidean space is subjected to a slight (infinitesimal transformation, infinitesimal) rotation, but unlike Euclidean vector, geometric vectors and tensors, a spinor transforms to its negative when the space rotates through 360° (see picture). It takes a rotation of 720° for a spinor to go back to its original state. This property characterizes spinors: spinors can be viewed as the "square roots" of vectors (although this is inaccurate and may be misleading; they are better viewed as "square roots" of Section (fiber bundle), sections of vector bundles – in the case of the exterior algebra bundle of the cotangent bundle, they thus become "square roots" of differential forms). It is also possible to associate a substantially similar notion of spinor to Minkowski space, in which cas ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
