Dimitrios Skouteris and Antonio Laganà Electronuclear multiconfiguration time-dependent hartree calculations on the confined H atom with mobile electron and nucleus International Journal of Quantum Chemistry 113
The energy levels of the free hydrogen atom can be calculated analytically from the Schrödinger equation. But how do these levels change if the H atom is confined in a spherical cavity? Here a multi-configuration time-dependent Hartree algorithm is used to treat this six-dimensional problem and obtain a picture of the confined H atom energy levels. At high energies, the energy levels diverge and thus a calculation of the partition function of the H atom becomes tractable.
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