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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 ...
Electron atomic and molecular orbitals A Bohr diagram of lithium. In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1]
Atomic orbitals have distinctive shapes, (see top graphic) in which letters, s, p, d, f, etc., (employing a convention originating in spectroscopy) denote the shape of the atomic orbital. The wavefunctions of these orbitals take the form of spherical harmonics, and so are described by Legendre polynomials.
A quantum number beginning in n = 3,ℓ = 0, describes an electron in the s orbital of the third electron shell of an atom. In chemistry, this quantum number is very important, since it specifies the shape of an atomic orbital and strongly influences chemical bonds and bond angles. The azimuthal quantum number can also denote the number of ...
Basis sets in which there are multiple basis functions corresponding to each valence atomic orbital are called valence double, triple, quadruple-zeta, and so on, basis sets (zeta, ζ, was commonly used to represent the exponent of an STO basis function [4]). Since the different orbitals of the split have different spatial extents, the ...
A molecular orbital (MO) can be used to represent the regions in a molecule where an electron occupying that orbital is likely to be found. Molecular orbitals are approximate solutions to the Schrödinger equation for the electrons in the electric field of the molecule's atomic nuclei.
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where is a molecular orbital represented as the sum of n atomic orbitals , each multiplied by a corresponding coefficient , and r (numbered 1 to n) represents which atomic orbital is combined in the term. The coefficients are the weights of the contributions of the n atomic orbitals to the molecular orbital.