Coulomb Dirac wave function

EDE in the external Coulomb field in Fig. 1.6. The eigenfunctions of this equation may be found exactly in the form of the Dirac-Coulomb wave functions (see, e.g, [10]). For practical purposes it is often sufficient to approximate these exact wave functions by the product of the Schrodinger-Coulomb wave functions with the reduced mass and the free electron spinors which depend on the electron mass and not on the reduced mass. These functions are very convenient for calculation of the high order corrections, and while below we will often skip some steps in the derivation of one or another high order contribution from the EDE, we advise the reader to keep in mind that almost all calculations below are done with these unperturbed wave functions. 

The binding corrections to h q)erfine splitting as well as the main Fermi contribution are contained in the matrix element of the interaction Hamiltonian of the electron with the external vector potential created by the muon magnetic moment (A = V X /Lx/(47rr)). This matrix element should be calculated between the Dirac-Coulomb wave functions with the proper reduced mass dependence (these wave functions are discussed at the end of Sect. 1.3). Thus we see that the proper approach to calculation of these corrections is to start with the EDE (see discussion in Sect. 1.3), solve it with the convenient... 

In the Schrodinger-Coulomb approximation the expression in (6.33) reduces to the leading nuclear size correction in (6.3). New results arise if we take into account Dirac corrections to the Schrodinger-Coulomb wave functions of relative order (Za). For the nS states the product of the wave functions in (6.33) has the form (see, e.g, [17])... 

The leading electron polarization contribution in (7.7) was calculated in the nonrelativistic approximation between the Schrodinger-Coulomb wave functions. Relativistic corrections of relative order (Za) to this contribution may easily be obtained in the nonrecoil limit. To this end one has to calculate the expectation value of the radiatively corrected potential in (7.1) between the relativistic Coulomb-Dirac wave functions instead of averaging it with the nonrelativistic Coulomb-Schrodinger wave functions. 

The logarithmic nuclear size correction of order Za) EF may simply be obtained from the Zemach correction if one takes into account the Dirac correction to the Schrodinger-Coulomb wave function in (3.65) [7]... 

For tiie case of a Coulomb field, special methods exist that reduce the equation to a form where the nonrelativistic solutions can be used.11 Thus, if we denote by tji the wave function of the electron moving in a Coulomb field, then t/i obeys the Dirac equation... 

Heavy atoms exhibit large relativistic effects, often too large to be treated perturba-tively. The Schrodinger equation must be supplanted by an appropriate relativistic wave equation such as Dirac-Coulomb or Dirac-Coulomb-Breit. Approximate one-electron solutions to these equations may be obtained by the self-consistent-field procedure. The resulting Dirac-Fock or Dirac-Fock-Breit functions are conceptually similar to the familiar Hartree-Fock functions the Hartree-Fock orbitals are replaced, however, by four-component spinors. Correlation is no less important in the relativistic regime than it is for the lighter elements, and may be included in a similar manner. 

The most straightforward method for electronic structure calculation of heavy-atom molecules is solution of the eigenvalue problem using the Dirac-Coulomb (DC) or Dirac-Coulomb-Breit (DCB) Hamiltonians [4f, 42, 43] when some approximation for the four-component wave function is chosen. 

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