Theoretical Studies of Electronic Transition Lasers.
Abstract
Self-absorption in electronic transition lasers can severely limit the efficiencies of such systems. We identified a bound-continuum X-A as well as possible bound-bound transitions which could absorb at the B-X lasing energy in Group II b-halides. Figure 1 shows the bound-continuum absorption transition for HgCl. Experimental evidence for these transitions is non-existent and ab initio calculations are required to obtain the spectroscopic properties of these systems. We can note parenthetically that the determination of the energies and spectroscopic properties of excimer and ion-pair type electronic transition lasers has relied heavily on ab initio calculation. A well-defined calculation scheme has been developed which is applicable over the entire periodic table. Relativistic -dependent pseudopotentials have been used in the calculation of the electronic structure and transition moments of HgCl. Compact but accurate bases have been determined variationally at the double zeta plus polarization level. The final wave functions, energies, and properties have been obtained at the first-order configuration interaction level of accuracy. Because pseudopotentials are used, the paraphanelia of computing the wavefunctions such as trial inputs and configuration interaction formula tapes are identical for all Group II b-halides, which would permit straight-forward extension of the HgCl results.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1979
- Accession Number
- ADA079596
Entities
People
- Morris Krauss
- Walter J. Stevens
Organizations
- National Institute of Standards and Technology