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This representation is related to the idea that the Electron s are not precisely located around the atomic or molecular nuclei but must instead be described by Probability Amplitude s or wavefunctions which provides the Probability to find electrons in a given region of space (for example along a particular Chemical Bond ). These mathematical Function s of the Coordinate s of all electrons are often expressed in terms of Electronic Configuration s or Slater Determinant s which are in turn expressed in terms of Atomic or Molecular Orbital s. One can represent the theory also in terms of the Electron Density which is a function of one electron only. This approach is called the Density Functional Theory . Both the molecular orbital and density functional approaches are the basic elements of modern Quantum Chemistry and of Computational Chemistry . |
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