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Exchange operator



The Exchange operator, 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:

\hat K_j (1) f(1)= \varphi_j(1) \int { \frac{\varphi_j^*(2)f(2)}{r_{12}}dv_2}

where \hat K_j (1) is the one-electron Exchange operator,

f(1),f(2) are the one-electron wavefunction being acted upon by the Exchange operator as functions of the positions of electron 1 and electron 2,

φj(1),φj(2) are the one-electron wavefunction of the j-th electron as functions of the positions of electron 1 and electron 2,

r12 is the distance between electrons 1 and 2.

See also

  • Core Hamiltonian
 
This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Exchange_operator". A list of authors is available in Wikipedia.
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