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The Slater determinant is named for John C. Slater, who introduced the determinant in 1929 as a means of ensuring the antisymmetry of a many-electron wave function, [2] although the wave function in the determinant form first appeared independently in Heisenberg's [3] and Dirac's [4] [5] articles three years earlier.
If only one spin orbital differs, we describe this as a single excitation determinant. If two spin orbitals differ it is a double excitation determinant and so on. This is used to limit the number of determinants in the expansion which is called the CI-space. Truncating the CI-space is important to save computational time.
Atomic orbitals are basic building blocks of the atomic orbital model (or electron cloud or wave mechanics model), a modern framework for visualizing submicroscopic behavior of electrons in matter. In this model, the electron cloud of an atom may be seen as being built up (in approximation) in an electron configuration that is a product of ...
A helium atom is an atom of the chemical element helium. Helium is composed of two electrons bound by the electromagnetic force to a nucleus containing two protons along with two neutrons, depending on the isotope , held together by the strong force .
Some quantum chemistry software uses sets of Slater-type functions (STF) analogous to Slater type orbitals, but with variable exponents chosen to minimize the total molecular energy (rather than by Slater's rules as above). The fact that products of two STOs on distinct atoms are more difficult to express than those of Gaussian functions (which ...
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.
Its atmosphere is mainly composed of hydrogen and helium, like that of Jupiter, our solar system's largest planet. But WASP-121b's atmosphere is not like anything ever seen before.
It is a special case of the configuration interaction method in which all Slater determinants (or configuration state functions, CSFs) of the proper symmetry are included in the variational procedure (i.e., all Slater determinants obtained by exciting all possible electrons to all possible virtual orbitals, orbitals which are unoccupied in the electronic ground state configuration).