atomic orbital
(redirected from Atomic orbitals)atomic orbital
[ə′täm·ik ′ȯr·bə·təl] (atomic physics)
The space-dependent part of a wave function describing an electron in an atom.
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For example, it is possible to visualise the atomic orbitals, see electronic effects using arrows and identify bond lengths and element symbols.
summation is carried out over all atomic orbitals at a given atom, i.
The above configurations are based on the energies of the atomic orbitals of Cd and Se which have been calculated using Hartree-Fock method [12].
To study HX-negative molecule system in photo-detachment process, we have to determineitswave functionsby Linear Combination of Atomic Orbitals (LCAO)of H- and X-[3].
Mulliken charges arising from the Mulliken population analysis provides a mean of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method [28,29].
The orbitals are still weighted sums of atomic orbitals, but the s,p,d overlap renders the probability functions more global over the entire complex.
Among the topics are atomic orbitals, the anti-symmetry of many-electron wavefunctions, valence bond theory and the chemical bond, and elements of Rayleigh-Schroedinger perturbation theory.
The attractive magnetic force in the anti-parallel spin electrons accounts for the anti-parallel pairing of electrons in atomic orbitals where the electrons are close together, this leading to the Periodic Table of elements.
Just as the case with atomic orbitals, the shape of a ground state molecular orbital is highly specific in shape and size.
Far from the surface and in the absence of a field, the atomic orbitals of A and B hybridize into molecular orbitals which we take to be a low-lying bonding orbital and an empty antibonding orbital.
The tight-binding model (7) is based upon the Linear Combination of Atomic Orbitals (LCAO) method and is both accurate and easy to implement (8), (9).
The third edition adds a section on shapes of atomic orbitals, updates 20 "Chemistry in the News" features, and reorganizes sections into a more logical progression
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