Computational Chemistry 4.7 - Slater Determinants

Published: 24 March 2018
on channel: TMP Chem
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Short lecture on Slater determinants for N-electron wavefunctions.

Slater determinants are a formal mechanism to enforce the antisymmetry principle for an arbitrary N-electron wavefunction. Exchanging any pair of electrons results in an equivalent wavefunction with an opposite sign. A Slater determinant is a determinant of a matrix of all electrons (rows) and occupied spin orbitals (columns) in a molecular system. There is also a normalization constant of the inverse square root of N factorial, which is the number of all possible permutations of the spin orbitals (the number of ways of organizing N electrons in N spin orbitals [N! = N * N-1 * N-2 ... 1]. All determinants where all electrons are not in the same spin orbitals are orthogonal.

Notes Slide: https://i.imgur.com/peT1x21.png

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