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In quantum mechanics, an atomic orbital (/ ˈ ɔːr b ɪ t ə l / ⓘ) is a function describing the location and wave-like behavior of an electron in an atom. [1] This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around ...
The Laporte rule is a selection rule formally stated as follows: In a centrosymmetric environment, transitions between like atomic orbitals such as s-s, p-p, d-d, or f-f, transitions are forbidden. The Laporte rule (law) applies to electric dipole transitions, so the operator has u symmetry (meaning ungerade, odd).
The rules were developed by John C. Slater in an attempt to construct simple analytic expressions for the atomic orbital of any electron in an atom. Specifically, for each electron in an atom, Slater wished to determine shielding constants ( s ) and "effective" quantum numbers ( n *) such that
The atomic orbitals used are typically those of hydrogen-like atoms since these are known analytically i.e. Slater-type orbitals but other choices are possible such as the Gaussian functions from standard basis sets or the pseudo-atomic orbitals from plane-wave pseudopotentials. Example of a molecular orbital diagram.
Calculations based on the Bohr–Sommerfeld model were able to accurately explain a number of more complex atomic spectral effects. For example, up to first-order perturbations, the Bohr model and quantum mechanics make the same predictions for the spectral line splitting in the Stark effect. At higher-order perturbations, however, the Bohr ...
When Bohr began his work on a new atomic theory in the summer of 1912 [8]: 237 the atomic model proposed by J J Thomson, now known as the Plum pudding model, was the best available. [9]: 37 Thomson proposed a model with electrons rotating in coplanar rings within an atomic-sized, positively-charged, spherical volume. Thomson showed that this ...
Potassium and calcium appear in the periodic table before the transition metals, and have electron configurations [Ar] 4s 1 and [Ar] 4s 2 respectively, i.e. the 4s-orbital is filled before the 3d-orbital. This is in line with Madelung's rule, as the 4s-orbital has n + l = 4 (n = 4, l = 0) while the 3d-orbital has n + l = 5 (n = 3, l = 2).
The solid body shows the places where the electron's probability density is above a certain value (here 0.02 nm −3): this is calculated from the probability amplitude. The hue on the colored surface shows the complex phase of the wave function. In quantum mechanics, a probability amplitude is a complex number used for describing the behaviour ...