Relativistic Electronic Structure of PbS and PbSe Molecules
American Institute of Physics Publishing
The electronic orbitals of PbS and PbSe are calculated using a scattered‐wave technique for the solution of the one‐electron Dirac equation for a polyatomic muffin‐tin potential. The resulting orbital transition energies are in good agreement with experimental absorption and emission data.
C.Y. Yang and S. Rabii, “Relativistic Electronic Structure of PbS and PbSe Molecules,” Journal of Chemical Physics 69, 2497-2499 (1978).