Physical review. B, Solid state · 1976 · 23 citations · 12 references
Natural SciencesMaterials ScienceNuclear PhysicsRadiation MeasurementRadiation PhysicsAb Initio MethodsRadiation ChemistryRadiation SpectroscopyLinear Combination Of Atomic OrbitalsMultiple ScatteringMultiple Scattering EffectsPolycrystalline Materials
The experimental Compton profile of LiH is determined using a polycrystalline sample with high purity and 59.54-keV radiation from an $^{241}\mathrm{Am}$ source. The theoretical profile is calculated in the linear combination of atomic orbitals (LCAO) approximation based on the symmetrical orthogonalization of the atomic orbitals. The precision of the calculations is studied by varying the size of crystal. Excellent agreement between the theory and experiment is observed. Earlier discrepancies between the theoretical and experimental results are shown to be due partly to sample impurities and multiple scattering and partly to the inaccurate LCAO calculations.
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Ab Initio Computations in Atoms and Molecules
E. Clementi · IBM Journal of Research and Development · 1965 · 1.5K citations
Natural Sciences, Chemistry, Physics +17
Quantum theory of cohesive properties of solids
Per‐Olov Löwdin · Advances In Physics · 1956 · 1.2K citations
Localized Orbitals in Polyatomic Systems
A. Barry Kunz · physica status solidi (b) · 1969 · 138 citations
Natural Sciences, Chemistry, Physics +15
Gamma ray compton profile of aluminium
S. Manninen, T. Paakkari, K. Kajantie · Philosophical magazine · 1974 · 91 citations