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In quantum chemistry, what does the quantum theory of atoms in molecules (QTAIM) model?
In quantum chemistry, what does the quantum theory of atoms in molecules (QTAIM) model?
The QTAIM model is a model of molecular and condensed matter electronic systems in which the principal objects of molecular structure - atoms and bonds - are natural expressions of a system's observable electron density distribution function.
What is an electron density distribution of a molecule?
What is an electron density distribution of a molecule?
An electron density distribution of a molecule is a probability distribution that describes the average manner in which the electronic charge is distributed throughout real space in the attractive field exerted by the nuclei.
According to QTAIM, how is molecular structure revealed?
According to QTAIM, how is molecular structure revealed?
Molecular structure is revealed by the stationary points of the electron density together with the gradient paths of the electron density that originate and terminate at these points.
Who primarily developed QTAIM?
Who primarily developed QTAIM?
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What was the initial focus of QTAIM's development?
What was the initial focus of QTAIM's development?
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