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  2. Radial distribution function - Wikipedia

    en.wikipedia.org/wiki/Radial_distribution_function

    In statistical mechanics, the radial distribution function, (or pair correlation function) in a system of particles (atoms, molecules, colloids, etc.), describes how density varies as a function of distance from a reference particle. If a given particle is taken to be at the origin O, and if is the average number density of particles, then the ...

  3. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    To see the elongated shape of ψ (x, y, z)2 functions that show probability density more directly, see pictures of d-orbitals below. In quantum mechanics, an atomic orbital (/ ˈɔːrbɪtəl /) is a function describing the location and wave-like behavior of an electron in an atom. [1] This function describes an electron's charge distribution ...

  4. Wave function - Wikipedia

    en.wikipedia.org/wiki/Wave_function

    The wave function of an initially very localized free particle. 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 ψ and Ψ (lower-case and capital psi, respectively).

  5. Schrödinger equation - Wikipedia

    en.wikipedia.org/wiki/Schrödinger_equation

    The second-derivative PDE of the Klein-Gordon equation led to a problem with probability density even though it was a relativistic wave equation. The probability density could be negative, which is physically unviable. This was fixed by Dirac by taking the so-called square-root of the Klein-Gordon operator and in turn introducing Dirac matrices.

  6. Slater's rules - Wikipedia

    en.wikipedia.org/wiki/Slater's_rules

    An example provided in Slater's original paper is for the iron atom which has nuclear charge 26 and electronic configuration 1s 2 2s 2 2p 6 3s 2 3p 6 3d 6 4s 2.The screening constant, and subsequently the shielded (or effective) nuclear charge for each electron is deduced as: [1]

  7. Bohr radius - Wikipedia

    en.wikipedia.org/wiki/Bohr_radius

    In Schrödinger's quantum-mechanical theory of the hydrogen atom, the Bohr radius is the value of the radial coordinate for which the radial probability density of the electron position is highest. The expected value of the radial distance of the electron, by contrast, is ⁠ 3 2 a 0 {\displaystyle {\tfrac {3}{2}}a_{0}} ⁠ .

  8. Probability amplitude - Wikipedia

    en.wikipedia.org/wiki/Probability_amplitude

    Probability amplitude. A wave function for a single electron on 5d atomic orbital of a hydrogen atom. The solid body shows the places where the electron's probability density is above a certain value (here 0.02 nm −3): this is calculated from the probability amplitude. The hue on the colored surface shows the complex phase of the wave function.

  9. Electron density - Wikipedia

    en.wikipedia.org/wiki/Electron_density

    Electron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron ...