The time-independent Dirac equation

In equation \(\eqref{eq:Dirac_equation_emf_alpha_beta}\), we have introduced the time-dependent Dirac equation. If Dirac one-electron Hamiltonian is time-independent, we can separate variables (G. Dyall and Faegri 2007) and write down the time-independent Dirac equation: \[\begin{equation} h^{c, \text{D}} \Psi(\vb{r}) % = E \Psi(\vb{r}) % \thinspace , \end{equation}\] with the Dirac Hamiltonian given by the \((4 \times 4)\)-matrix \[\begin{equation} h^{c, \text{D}} % = c \boldsymbol{\alpha} \vdot \boldsymbol{\pi}^c(\vb{r}) % + \beta m_e c^2 % + q_e \phi_{\text{ext}}^c(\vb{r}) % \thinspace . \end{equation}\] We should note that this separation of variables is only valid in a particular frame of reference, which is naturally the nuclear framework if we employ the usual Born-Oppenheimer approximation. If we would like to obtain results in a particular other frame, we should subsequently Lorentz-transform the results. Note that after the Lorentz transformation, we might even end up in a non-stationary state. (G. Dyall and Faegri 2007)

Let us first subtract the rest energy \(m_e c^2\) (i.e. when the electron is at rest and thus \(\vb{p}=0\)) to align relativistic and non-relativistic energy scales. We then end up with the Hamiltonian \[\begin{equation} h^{\text{c}, D'}(\vb{r}) % = c \boldsymbol{\alpha} \vdot \boldsymbol{\pi}^c(\vb{r}) % + (\beta - \text{I}_4) m_e c^2 % + q_e \phi_{\text{ext}}^c(\vb{r}) \end{equation}\] and the energy \[\begin{equation} E' = E - m_e c^2 % \thinspace . \end{equation}\] It is this form of the Dirac Hamiltonian that we will use in the remainder of these notes, and we will accordingly drop these primes.

References

G. Dyall, Kenneth, and Knut Jr. Faegri. 2007. Introduction to Relativistic Quantum Chemistry. Oxford University Press, Inc.