Английская Википедия:Coulomb operator

Содержание

Текст

Текст

Текст

Текст

Текст

Текст

Текст

Текст

Текст

Шаблон:Short description Шаблон:More citations needed The Coulomb operator, named after Charles-Augustin de Coulomb, is a quantum mechanical operator used in the field of quantum chemistry. Specifically, it is a term found in the Fock operator. It is defined as:

<math> \widehat J_j (1) f_i(1)= f_i(1) \int { \left | \varphi_j(2) \right | }^2 \frac{1}{r_{12}}\,dr_2 </math>

where

<math> \widehat J_j (1) </math> is the one-electron Coulomb operator defining the repulsion resulting from electron j,

<math> f_i(1) </math> is the one-electron wavefunction of the <math> i^{th} </math> electron being acted upon by the Coulomb operator,

<math>\varphi_j(2)</math> is the one-electron wavefunction of the <math> j^{th} </math> electron,

<math>r_{ij}</math> is the distance between electrons <math> (i) </math> and <math> (j) </math>.

See also

• Core Hamiltonian
• Exchange operator