Exchange operator

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_{12dv_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,

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

r_{12} is the distance between electrons 1 and 2.

In Quantum Physics the Exchange Operator can be thought of as a Hermitian operator which swaps the labels on any two identical particles.

ee also

*Core Hamiltonian

*Coulomb operator


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