slater determinant

The usual wave function is obtained using the slater determinant and the identical particles theory.

The resulting overall wave functions, called spin-orbitals, are written as Slater determinants.

Mathematically, configurations are described by Slater determinants or configuration state functions.

An antisymmetric wave function can be mathematically described using the Slater determinant.

In general the Slater determinant is evaluated by the Laplace expansion.

This notation means that the corresponding Slater determinants have a clear higher weight in the configuration interaction expansion.

The latter are written as Slater determinants.

Mathematically, configuration simply describes the linear combination of Slater determinants used for the wave function.

This comes from Slater determinants.

Mathematically, a Slater determinant is an antisymmetric tensor, also known as a wedge product.

The orbitals are optimized by requiring them to minimize the energy of the respective Slater determinant.

Each assignment corresponds to one Slater determinant, .

In the same way, the use of Slater determinants ensures conformity to the Pauli principle.

Full configuration interaction with Slater determinants (benchmark studies)

The Hartree-Fock energy is the minimal energy for a single Slater determinant.

The Slater determinants from which the excitations are performed are called reference determinants.

There remains now to determine the components of this Slater determinant, that is, the individual wavefunctions of the nucleons.

Non-interacting systems are relatively easy to solve as the wavefunction can be represented as a Slater determinant of orbitals.

It can be seen that the use of Slater determinants ensures an antisymmetrized function at the outset; symmetric functions are automatically rejected.

A single Slater determinant is used as an approximation to the electronic wavefunction in Hartree-Fock theory.

The Hartree-Fock electronic wave function is then the Slater determinant constructed out of these orbitals.

The Slater determinant and permanent (of a matrix) was part of the method, provided by Slater.

(Singly excited Slater determinants do not contribute because of the Brillouin theorem).

The set of all possible Slater determinants in the valence space defines a basis for (Z-) N-body states.

Within Hartree-Fock theory, the wave function is approximated as a Slater determinant of spin-orbitals.