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Electron correlation is sometimes divided into dynamical and non-dynamical (static) correlation. Dynamical correlation is the correlation of the movement of electrons and is described under electron correlation dynamics [3] and also with the configuration interaction (CI) method. Static correlation is important for molecules where the ground ...
Correlation functions are typically measured with scattering experiments. For example, x-ray scattering experiments directly measure electron-electron equal-time correlations. [7] From knowledge of elemental structure factors, one can also measure elemental pair correlation functions. See Radial distribution function for further information.
The Taft equation is a linear free energy relationship (LFER) used in physical organic chemistry in the study of reaction mechanisms and in the development of quantitative structure–activity relationships for organic compounds. It was developed by Robert W. Taft in 1952 [2] [3] [4] as a modification to the Hammett equation. [5]
Poisson's equation is an elliptic partial differential equation of broad utility in theoretical physics. For example, the solution to Poisson's equation is the potential field caused by a given electric charge or mass density distribution; with the potential field known, one can then calculate the corresponding electrostatic or gravitational ...
If the electron is in an electric field of 43 MV/m, it will be accelerated and acquire 21.5 eV of energy in 0.5 μm of travel in the direction of the field. The first ionization energy needed to dislodge an electron from nitrogen molecule is about 15.6 eV. The accelerated electron will acquire more than enough energy to ionize a nitrogen molecule.
Electric field from positive to negative charges. Gauss's law describes the relationship between an electric field and electric charges: an electric field points away from positive charges and towards negative charges, and the net outflow of the electric field through a closed surface is proportional to the enclosed charge, including bound charge due to polarization of material.
Møller–Plesset perturbation theory (MP) is one of several quantum chemistry post-Hartree–Fock ab initio methods in the field of computational chemistry.It improves on the Hartree–Fock method by adding electron correlation effects by means of Rayleigh–Schrödinger perturbation theory (RS-PT), usually to second (MP2), third (MP3) or fourth (MP4) order.
In condensed matter physics and crystallography, the static structure factor (or structure factor for short) is a mathematical description of how a material scatters incident radiation. The structure factor is a critical tool in the interpretation of scattering patterns ( interference patterns ) obtained in X-ray , electron and neutron ...