Slater determinant in the context of Configuration state function


Slater determinant in the context of Configuration state function

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👉 Slater determinant in the context of Configuration state function

In quantum chemistry, a configuration state function (CSF), is a symmetry-adapted linear combination of Slater determinants. A CSF must not be confused with a configuration. In general, one configuration gives rise to several CSFs; all have the same total quantum numbers for spin and spatial parts but differ in their intermediate couplings.

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Slater determinant in the context of Hartree–Fock method

In computational physics and chemistry, the Hartree–Fock (HF) method is used for approximating the wave function and the energy of a quantum many-body system in a stationary state. It is named after Douglas Hartree and Vladimir Fock.

The Hartree–Fock method often assumes that the exact -body wave function of the system can be approximated by a single Slater determinant (in the case where the particles are fermions) or by a single permanent (in the case of bosons) of spin-orbitals. By invoking the variational method, one can derive a set of coupled equations for the spin orbitals. A solution of these equations yields the Hartree–Fock wave function and energy of the system. Hartree–Fock approximation is an instance of mean-field theory, where neglecting higher-order fluctuations in order parameter allows interaction terms to be replaced with quadratic terms, obtaining exactly solvable Hamiltonians.

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