Electronuclear multiconfiguration time-dependent hartree calculations on the confined H atom with mobile electron and nucleus

A multiconfiguration time-dependent Hartree method oriented toward calculations of a non-Born-Oppenheimer nature has been applied to the calculation of the dynamical properties of a confined H atom. The calculation is fully six-dimensional and does not take into account constraints arising from linear or angular momentum conservation. The orbital evolution is monitored and the energy level spectrum of the system, as well as the dependence of the results on the decomposition of the Hamiltonian and on the correlation between radial degrees of freedom, is determined.

A multiconfiguration time-dependent Hartree method oriented toward calculations of a non-Born-Oppenheimer nature has been applied to the calculation of the dynamical properties of a confined H atom. The calculation is fully six-dimensional and does not take into account constraints arising from linear or angular momentum conservation. The orbital evolution is monitored and the energy level spectrum of the system, as well as the dependence of the results on the decomposition of the Hamiltonian and on the correlation between radial degrees of freedom, is determined. © 2012 Wiley Periodicals, Inc.