EVELIO
FRANCISCO MIGUELEZ
Catedrático de Universidad
Lorenzo
Pueyo Casaus
Publications by the researcher in collaboration with Lorenzo Pueyo Casaus (16)
2004
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Reduced-size representations of high-quality atomic densities. The hybrid Gaussian-exponential case
Theoretical Chemistry Accounts, Vol. 112, Núm. 3, pp. 113-123
2002
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Hirshfeld surfaces as approximations to interatomic surfaces
Journal of Chemical Physics, Vol. 117, Núm. 3, pp. 1017-1023
1995
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Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystals
Physical Review B, Vol. 51, Núm. 5, pp. 2703-2714
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Effects of a quantum crystal potential on the derivation of electron gas interionic energies
Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 197-200
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Theoretical study of the coordination of the cr3+ ion in α-Al2O3
Radiation Effects and Defects in Solids, Vol. 134, Núm. 1-4, pp. 123-126
1992
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Electronic structure and electronic excitations of solid neon from an ab initio atom-in-the-lattice approach
Journal of Physical Chemistry, Vol. 96, Núm. 5, pp. 2301-2307
1991
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Local wave functions for multinegative ions in solids
Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 2, pp. 727-728
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Theoretical D-D Spectrum of Cr3+:MgO
Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 1, pp. 437-438
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Theoretical computation of the gyromagnetic factor for the Cr3+ and V2+ ions in KMgF3.
Radiation Effects and Defects in Solids, Vol. 119-121, Núm. 2, pp. 725-726
1988
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The coulombic lattice potential of ionic compounds: The cubic perovskites
Journal of Chemical Education, Vol. 65, Núm. 1, pp. 6-9
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Theoretical spin-orbit coupling constants for 3d ions in crystals
Physical Review B, Vol. 37, Núm. 10, pp. 5278-5288
1987
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Accurate calculation of spin-orbit coupling constants for 3d atoms and ions with effective core potentials and reduced basis sets
Physical Review A, Vol. 36, Núm. 5, pp. 1978-1982
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Basis sets generation: Relation between Adamowicz's and the maximum overlap method
International Journal of Quantum Chemistry, Vol. 31, Núm. 2, pp. 279-285
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Core projection effects in near-ab-initio valence calculations. II. Ground state geometry of octahedral chromium (I, II, III, and IV) hexafluorides
Journal of Solid State Chemistry, Vol. 66, Núm. 2, pp. 263-282
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Reduction of orbital sets
Computer Physics Communications, Vol. 43, Núm. 2, pp. 269-277
1986
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The maximum overlap method: A general and efficient scheme for reducing basis sets. Application to the generation of approximate AO's for the 3d transition metal atoms and ions
Journal of Solid State Chemistry, Vol. 63, Núm. 3, pp. 391-400