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1s Slater-type function
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1s Slater-type function : ウィキペディア英語版
1s Slater-type function

A normalized 1s Slater-type function is a function which is used in the descriptions of atoms and in a broader way in the description of atoms in molecules. It is particularly important as the accurate quantum theory description of the smallest free atom, hydrogen. It has the form
:\psi_(\zeta, \mathbf) = \left(\frac\right)^ \, e^.

It is a particular case of a Slater-type orbital (STO) in which the principal quantum number n is 1. The parameter \zeta is called the Slater orbital exponent. Related sets of functions can be used to construct STO-nG basis sets which are used in quantum chemistry.
== Applications for hydrogen-like atomic systems ==

A hydrogen-like atom or a hydrogenic atom is an atom with one electron. Except for the hydrogen atom itself (which is neutral) these atoms carry positive charge e(\mathbf Z-1), where \mathbf Z is the atomic number of the atom. Because hydrogen-like atoms are two-particle systems with an interaction depending only on the distance between the two particles, their (non-relativistic) Schrödinger equation can be exactly solved in analytic form. The solutions are one-electron functions and are referred to as ''hydrogen-like atomic orbitals''.〔In quantum chemistry an orbital is synonymous with "one-electron function", i.e., a function of ''x'', ''y'', and ''z''.〕
The electronic Hamiltonian (in atomic units) of a Hydrogenic system is given by

\mathbf - \frac, where \mathbf Z is the nuclear charge of the hydrogenic atomic system. The 1s electron of a hydrogenic systems can be accurately described by the corresponding Slater orbital:

\mathbf \psi_ = \left (\frac \right ) ^e^, where \mathbf \zeta is the Slater exponent. This state, the ground state, is the only state that can be described by a Slater orbital. Slater orbitals have no radial nodes, while the excited states of the hydrogen atom have radial nodes.

抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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