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What is Relative contraction of atomic orbitals?

Updated: 12/5/2022
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Q: What is Relative contraction of atomic orbitals?
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Figure indicating the relative sizes and energies of atomic orbitals?

principal quantum number


A figure indicating the relative sizes and energies of atomic orbitals?

principal quantum number


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What has the author Jan Almlof written?

Jan Almlof has written: 'General contraction of Gaussian basis sets' -- subject(s): Configuration interaction, Atomic physics, Multipoles, Electron orbitals, Wave functions, Contraction


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In molecular orbital theory, MO theory, molecular orbitals are "built" from atomic orbitals. A common approach is to take a linear combination of atomic orbitals (LCAO), specifically symmetry adapted linear combinations (SALC) using group theory. The formation of a bond is essentially down to the overlap of the orbitals, the orbitals being of similar energy and the atomic orbital wave functions having the correct symmetry.


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The "orbitals" round an atomic nucleus are electrons, in anti matter they are protons


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By the overlap of atomic orbitals. In valence bond theory these atomic orbitals may be s, p or d orbitals or "hybrids" such as sp3. This is a complex area and the above is a very simple explanation.


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