Exchange operator

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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)= \phi_j(1) \int { \frac{\phi_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.

[edit] See also

  • Core Hamiltonian