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Physical Review B, 1986
The self-consistent electronic structure of AlN has been calculated using a first-principles linear-combination-of-atomic-orbitals method. Theoretical values for the lattice constant, internal parameter, bulk modulus, and cohesive energy were determined as well as the pressure-dependent frequency of the A/sub 1/ TO phonon.
, Ching, , Harmon
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Relativistic electronic structure theory

Journal of Computational Chemistry, 2002
AbstractThe theoretical and technical foundations are presented for the efficient relativistic electronic structure theories to treat heavy‐atomic molecular systems. This review contains two surveys of four‐component and two‐component quasi‐relativistic approaches.
Takahito, Nakajima, Takeshi, Yanai, Kimihiko, Hirao +2 more
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Electronic structure of YbN

Physical Review B, 1990
Large single crystals of cubic and stoichiometric YbN have been grown. On these crystals we measured the optical reflectivity for photon energies between 1 meV and 12 eV, also at helium temperatures, and performed a Kramers-Kronig analysis to obtain the optical constants.
, Degiorgi, , Bacsa, , Wachter
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Electrons in Disordered Structures

Advances in Physics, 1967
(1967). Electrons in disordered structures. Advances in Physics: Vol. 16, No. 61, pp. 49-144.
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Electronic Structure