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Hydrogen Molecular Ion
The dihydrogen cation or molecular hydrogen ion is a cation (positive ion) with formula H2^+. It consists of two hydrogen nuclei (protons), each sharing a single electron. It is the simplest molecular ion. The ion can be formed from the ionization of a neutral hydrogen molecule (H2) by electron impact. It is commonly formed in molecular clouds in space by the action of cosmic rays. The dihydrogen cation is of great historical, theoretical, and experimental interest. Historically it is of interest because, having only one electron, the equations of quantum mechanics that describe its structure can be solved approximately in a relatively straightforward way, as long as the motion of the nuclei and relativistic and quantum electrodynamic effects are neglected. The first such solution was derived by Ø. Burrau in 1927, just one year after the wave theory of quantum mechanics was published. The theoretical interest arises because an accurate mathematical description, taking into a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cation
An ion () is an atom or molecule with a net electrical charge. The charge of an electron is considered to be negative by convention and this charge is equal and opposite to the charge of a proton, which is considered to be positive by convention. The net charge of an ion is not zero because its total number of electrons is unequal to its total number of protons. A cation is a positively charged ion with fewer electrons than protons (e.g. K+ ( potassium ion)) while an anion is a negatively charged ion with more electrons than protons (e.g. Cl− ( chloride ion) and OH− ( hydroxide ion)). Opposite electric charges are pulled towards one another by electrostatic force, so cations and anions attract each other and readily form ionic compounds. Ions consisting of only a single atom are termed ''monatomic ions'', ''atomic ions'' or ''simple ions'', while ions consisting of two or more atoms are termed polyatomic ions or ''molecular ions''. If only a + or − is present, it indic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
One-electron Bond
A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs. The stable balance of attractive and repulsive forces between atoms, when they share electrons, is known as covalent bonding. For many molecules, the sharing of electrons allows each atom to attain the equivalent of a full valence shell, corresponding to a stable electronic configuration. In organic chemistry, covalent bonding is much more common than ionic bonding. Covalent bonding also includes many kinds of interactions, including σ-bonding, π-bonding, metal-to-metal bonding, agostic interactions, bent bonds, three-center two-electron bonds and three-center four-electron bonds. The term "covalence" was introduced by Irving Langmuir in 1919, with Nevil Sidgwick using "co-valent link" in the 1920s. Merriam-Webster dates the specific phrase ''covalent bond'' to 1939, recognizing its first known us ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Power Series
In mathematics, a power series (in one variable) is an infinite series of the form \sum_^\infty a_n \left(x - c\right)^n = a_0 + a_1 (x - c) + a_2 (x - c)^2 + \dots where ''a_n'' represents the coefficient of the ''n''th term and ''c'' is a constant called the ''center'' of the series. Power series are useful in mathematical analysis, where they arise as Taylor series of infinitely differentiable functions. In fact, Borel's theorem implies that every power series is the Taylor series of some smooth function. In many situations, the center ''c'' is equal to zero, for instance for Maclaurin series. In such cases, the power series takes the simpler form \sum_^\infty a_n x^n = a_0 + a_1 x + a_2 x^2 + \dots. The partial sums of a power series are polynomials, the partial sums of the Taylor series of an analytic function are a sequence of converging polynomial approximations to the function at the center, and a converging power series can be seen as a kind of generalized polynom ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wave Function
In quantum physics, a wave function (or wavefunction) is a mathematical description of the quantum state of an isolated quantum system. The most common symbols for a wave function are the Greek letters and (lower-case and capital psi (letter), psi, respectively). Wave functions are complex number, complex-valued. For example, a wave function might assign a complex number to each point in a region of space. The Born rule provides the means to turn these complex probability amplitudes into actual probabilities. In one common form, it says that the squared modulus of a wave function that depends upon position is the probability density function, probability density of measurement in quantum mechanics, measuring a particle as being at a given place. The integral of a wavefunction's squared modulus over all the system's degrees of freedom must be equal to 1, a condition called ''normalization''. Since the wave function is complex-valued, only its relative phase and relative magnitud ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Prolate Spheroidal Coordinates
Prolate spheroidal coordinates are a three-dimensional orthogonal coordinate system that results from rotating the two-dimensional elliptic coordinate system about the focal axis of the ellipse, i.e., the symmetry axis on which the foci are located. Rotation about the other axis produces oblate spheroidal coordinates. Prolate spheroidal coordinates can also be considered as a limiting case of ellipsoidal coordinates in which the two smallest principal axes are equal in length. Prolate spheroidal coordinates can be used to solve various partial differential equations in which the boundary conditions match its symmetry and shape, such as solving for a field produced by two centers, which are taken as the foci on the ''z''-axis. One example is solving for the wavefunction of an electron moving in the electromagnetic field of two positively charged nuclei, as in the hydrogen molecular ion, H2+. Another example is solving for the electric field generated by two small electrode ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ordinary Differential Equations
In mathematics, an ordinary differential equation (ODE) is a differential equation (DE) dependent on only a single independent variable. As with any other DE, its unknown(s) consists of one (or more) function(s) and involves the derivatives of those functions. The term "ordinary" is used in contrast with ''partial'' differential equations (PDEs) which may be with respect to one independent variable, and, less commonly, in contrast with ''stochastic'' differential equations (SDEs) where the progression is random. Differential equations A linear differential equation is a differential equation that is defined by a linear polynomial in the unknown function and its derivatives, that is an equation of the form :a_0(x)y +a_1(x)y' + a_2(x)y'' +\cdots +a_n(x)y^+b(x)=0, where a_0(x),\ldots,a_n(x) and b(x) are arbitrary differentiable functions that do not need to be linear, and y',\ldots, y^ are the successive derivatives of the unknown function y of the variable x. Among ord ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Partial Differential Equation
In mathematics, a partial differential equation (PDE) is an equation which involves a multivariable function and one or more of its partial derivatives. The function is often thought of as an "unknown" that solves the equation, similar to how is thought of as an unknown number solving, e.g., an algebraic equation like . However, it is usually impossible to write down explicit formulae for solutions of partial differential equations. There is correspondingly a vast amount of modern mathematical and scientific research on methods to numerically approximate solutions of certain partial differential equations using computers. Partial differential equations also occupy a large sector of pure mathematical research, in which the usual questions are, broadly speaking, on the identification of general qualitative features of solutions of various partial differential equations, such as existence, uniqueness, regularity and stability. Among the many open questions are the existence ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron Correlation
Electronic correlation is the interaction between electrons in the electronic structure of a quantum system. The correlation energy is a measure of how much the movement of one electron is influenced by the presence of all other electrons. Atomic and molecular systems Within the Hartree–Fock method of quantum chemistry, the antisymmetric wave function is approximated by a single Slater determinant. Exact wave functions, however, cannot generally be expressed as single determinants. The single-determinant approximation does not take into account Coulomb correlation, leading to a total electronic energy different from the exact solution of the non-relativistic Schrödinger equation within the Born–Oppenheimer approximation. Therefore, the Hartree–Fock limit is always above this exact energy. The difference is called the ''correlation energy'', a term coined by Löwdin. The concept of the correlation energy was studied earlier by Wigner. A certain amount of electr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Schrödinger Equation
The Schrödinger equation is a partial differential equation that governs the wave function of a non-relativistic quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. It is named after Erwin Schrödinger, an Austrian physicist, 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. Given a set of known initial conditions, Newton's second law makes a mathematical prediction as to what path a given physical system will take over time. The Schrödinger equation gives the evolution over time of the wave function, the quantum-mechanical characterization of an isolated physical system. The equation was postulated by Schrödinger based on a postulate of Louis de Broglie that all matter has an associated matter wave. The equati ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tritium
Tritium () or hydrogen-3 (symbol T or H) is a rare and radioactive isotope of hydrogen with a half-life of ~12.33 years. The tritium nucleus (t, sometimes called a ''triton'') contains one proton and two neutrons, whereas the nucleus of the common isotope hydrogen-1 (''protium'') contains one proton and no neutrons, and that of non-radioactive hydrogen-2 ('' deuterium'') contains one proton and one neutron. Tritium is the heaviest particle-bound isotope of hydrogen. It is one of the few nuclides with a distinct name. The use of the name hydrogen-3, though more systematic, is much less common. Naturally occurring tritium is extremely rare on Earth. The atmosphere has only trace amounts, formed by the interaction of its gases with cosmic rays. It can be produced artificially by irradiation of lithium or lithium-bearing ceramic pebbles in a nuclear reactor and is a low-abundance byproduct in normal operations of nuclear reactors. Tritium is used as the energy source in radio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Deuteron
Deuterium (hydrogen-2, symbol H or D, also known as heavy hydrogen) is one of two Stable isotope ratio, stable isotopes of hydrogen; the other is protium, or hydrogen-1, H. The deuterium atomic nucleus, nucleus (deuteron) contains one proton and one neutron, whereas the far more common H has no neutrons. The name ''deuterium'' comes from Greek ''Wikt:δεύτερος, deuteros'', meaning "second". American chemist Harold Urey discovered deuterium in 1931. Urey and others produced samples of heavy water in which the H had been highly concentrated. The discovery of deuterium won Urey a List of Nobel laureates in Chemistry, Nobel Prize in 1934. Nearly all deuterium found in nature was Big Bang nucleosynthesis, synthesized in the Big Bang 13.8 billion years ago, forming the primordial ratio of H to H (~26 deuterium nuclei per 10 hydrogen nuclei). Deuterium is subsequently produced by the slow stellar proton–proton chain, but rapidly destroyed by exothermic Nuclear fusio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Isotopologues
In chemistry, isotopologues (also spelled isotopologs) are molecules that differ only in their isotopic composition. They have the same chemical formula and bonding arrangement of atoms, but at least one atom has a different number of neutrons than the parent. An example is water, whose hydrogen-related isotopologues are: "light water" (HOH or ), "semi-heavy water" with the deuterium isotope in equal proportion to protium (HDO or ), "heavy water" with two deuterium atoms ( or ); and "super-heavy water" or tritiated water ( or , as well as and , where some or all of the hydrogen is the radioactive tritium isotope). Oxygen-related isotopologues of water include the commonly available form of heavy-oxygen water () and the more difficult to separate version with the isotope. Both elements may be replaced by isotopes, for example in the doubly labeled water isotopologue . Altogether, there are 9 different stable water isotopologues, and 9 radioactive isotopologues involving tritium, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
