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The dichotomy between the analytical and numerical approaches that were used to solve the problem of highly excited states in quantum mechanics was known as the Heisenberg cut. The idea of Heisenberg cut is an old one in quantum mechanics. The Heisenberg cut was developed as a theoretical tool to calculate the effect of coupling between two electrons in an atom to find low-energy transition probability. In the mathematical sense, this transition probability is the overlap between two electron-wave functions which is a continuous function of the distance between electrons. It’s fairly easy to calculate the overlap integrals if the electron-wave functions are represented by spin-orbitals from a full-potential linearized augmented plane-wave method. In these types of calculations, the important region of the form factor is considered to be only in the region of small distance so the two electron wave functions can be treated as plane waves.

For example, if the form factor of an electronic structure calculation is a spin-orbital that has a long tail, the part of the form factor with the small argument, where the electron-wave functions are not plane waves, cannot be accurately represented by a spin-orbital model.

In this way, in the early stages of the DFT calculations in periodic systems, the model of calculation is like using a plane wave to represent an electron-wave function, only for the region that is inside the first Bragg reflection from the calculation cell. A

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