@article{mowrer_lucovsky_sremaniak_whitten_2004, title={Ab initio theory calculations of the electronic structure of nc-AS(2)S(3) and GeS2: an intrinsic mechanism for reversible photo-darkening}, volume={338-40}, DOI={10.1016/j.jnocrysol.2004.03.038}, number={Jun 15 2004}, journal={Journal of Non-crystalline Solids}, author={Mowrer, T. and Lucovsky, G. and Sremaniak, L. S. and Whitten, Jerry}, year={2004}, pages={543–547} }
 @article{lucovsky_mowrer_sremaniak_whitten_2004, title={Local atomic structure and infrared effective charges in tetrahedrally-bonded glasses from ab initio theory electronic structure calculations}, volume={338}, ISSN={["0022-3093"]}, DOI={10.1016/j.jnoncrysol.2004.02.043}, abstractNote={Ab initio calculations are applied to small clusters containing the elements of short range order determined from X-ray and electron diffraction radial distributions for tetrahedrally-bonded, continuous random networks glasses including SiO2, GeO2, BeF2, and GeS2. The calculations have been used to determine the dependence of the total energy on the bond-angle at the two-fold coordinated O-, F-, and S-atom sites, and the infrared effective charges for normal mode infrared active network vibrations. The results of these calculations are in excellent agreement with experiment. Of particular significance are the calculated bond angle distributions for SiO2 and GeO2, which are significantly narrower than previously assumed, but in good agreement with recent modeling and experimental studies.}, number={Jun 15 2004}, journal={JOURNAL OF NON-CRYSTALLINE SOLIDS}, author={Lucovsky, G and Mowrer, T and Sremaniak, LS and Whitten, JL}, year={2004}, month={Jun}, pages={155–158} }
 @article{lucovsky_sremaniak_mowrer_whitten_2003, title={A  new approach for calculating the electronic structure and vibrational properties of non-crystalline solids: Effective charges for infrared-active normal mode vibrations in oxide and chalcogenide materials}, volume={326}, number={2003 Oct 1}, journal={Journal of Non-crystalline Solids}, author={Lucovsky, G. and Sremaniak, L. S. and Mowrer, T. and Whitten, J. L.}, year={2003}, pages={14-} }