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Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...
Ab Initio Study on the Vibrational and Electronic Properties of Radiation-Induced Defects in Potassium Bromide
(Crystals, 2024)
The vibrational and electronic properties of several basic radiation defects in potassium
bromide are computed at the quantum mechanical level using a periodic supercell approach based
on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The
exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...








