Computational Chemistry 4.9 - N-Electron Wavefunctions
Short lecture on the wavefunction of a system of N electrons.
A complete set of spin orbitals can represent any possible N-electron wavefunction. Through linear combinations of the spin orbitals we can represent any possible set of spin orbitals, and through linear combinations of the resulting Slater determinants we can represent any possible N-electron wavefunction. An N-electron wavefunction is a linear combination of the ground-state Slater determinant and all possible excited state determinants (singly excited, doubly excited, ... , N-fold excited). There are a quadratic number of singly excited Slater determinants, a quartic number of doubly excited, ..., and an exponential number of all possible determinants. Configuration Interaction (CI) methods includes excited determinants up to an arbitrarily determined excitation level, with N-fold being called "full CI".
Notes Slide: https://i.imgur.com/x2rU1E8.png
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