Fully relativistic, self-consistent field calculations, based on the Dirac-Coulomb-Gaunt Hamiltonian, were performed on the ground state of HBr, the Br 3d -ionized HBr ϩ , and the 4p(,) Ϫ2 states of HBr 2ϩ . Correlation in the ground and valence-excited states and partially in the Br 3d ionized states was described using a configuration-interaction ͑CI͒ method. Calculated ionization energies and bond lengths were found to be in good agreement with recent experimental results. The distortion in the vibrational bands of the 3d Ϫ1 →4p Ϫ2 Auger transitions due to lifetime vibrational interference was verified through ab initio calculations. Bands due to the transitions to bound and continuum vibrational states of the same electronic state were reproduced by calculations and compared with experimentally determined profiles. The nonadiabatic effects in the spin-orbit-induced avoided level crossing were investigated using adiabatic and diabatic electronic basis sets.
Dynamic dipole polarizabilities for the ground 4 1S
and the low-lying 4 1,3P and 5 1,3S excited
states of Zn are calculated by the time-dependent
gauge-invariant method and compared with other
experimental and theoretical results. The wavefunctions
are obtained from multi-reference
configuration-interaction calculations using a
two-electron relativistic pseudopotential. Core-valence
polarization is accounted for by the use of a
semi-empirical core-valence potential.
Core-polarization effects are also considered when
calculating the oscillator strengths using a modified
dipole transition operator. Long-range coefficients for
the molecular states of Zn2 dissociating into: 4 1S
+ 4 1S; 4 1S + 4 3P; 4 1S + 4 1P; 4 1S +
5 1S and 4 1S + 5 3S are presented.
Fully relativistic, all-electron self-consistent-field calculations, based on the Dirac-Coulomb͑-Gaunt͒ Hamiltonian, have been performed on the ground state and the three Cl 2p -ionized states of HCl. The calculations are done by the Dirac-Fock method and correlation is included through relativistic configuration-interaction calculations. The core-orbitals of HCl are shown to have a relativistic character and a description of the Cl 2p -ionized states in terms of -coupling is found to be crucial. Calculated Cl 2p -ionization energies and energy splittings are in very good agreement with recent experimental, high resolution results. For the ionization energies, relaxation dominates correlation, and the effect of correlation are found to be neglible. Furthermore, the combined effects of the Gaunt term and core-valence correlation brings the calculated energy splittings in excellent agreement with experiment.
BACKGROUND: An understanding of physiologic age-related shifts in myopic refractive errors is important to the refractive surgeon for the interpretation of long-term results, surgical planning, and patient counseling. This study characterizes the refractive stability of adult simple myopia with a retrospective study of 413 eyes.
METHODS: Approximately 74,000 patient records were analyzed to identify 208 adults with - 1.00 to -6.00 diopters (D) of myopia who were followed for more than 20 years at the Spokane Eye Clinic. Amounts of myopic shift (increase in myopia) and hyperopic shift (decrease in myopia) were identified and analyzed within the population. The results were compared to long-term studies of radial keratotomy.
RESULTS: The mean changes per patient age decade were: 20s, -0.60 D; 30s, -0.39 D; 40s, -0.29 D; 50s, +0.28 D; 60s, +0.41 D. Reanalyzed Prospective Evaluation of Radial Keratotomy (PERK) study 10year postoperative data demonstrated progressively increasing hyperopic shifts per decade, at least to age 50.
CONCLUSION: The normal adult population with simple myopia differs from the general population and consists of a population subgroup that is relatively stable and other subgroups that experience significant refractive shift. The hyperopic shift after radial keratotomy appears to be surgically induced and may be larger than previously thought. [J Refract Surg 1997,13:223-228]
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