L. Pueyo | QTCOVI – Theoretical and Computational Chemistryhttps://qtcovi.github.io/author/l.-pueyo/L. PueyoHugo Blox Builder (https://hugoblox.com)en-usThu, 01 Jan 2004 00:00:00 +0000https://qtcovi.github.io/media/icon_hu11734318148517933569.pngL. Pueyohttps://qtcovi.github.io/author/l.-pueyo/Reduced-size representations of high-quality atomic densities. The hybrid Gaussian-exponential casehttps://qtcovi.github.io/publication/2004-reduced-size-representations-of-high-quality-atomic-densities-the-hybrid-gaussia/Thu, 01 Jan 2004 00:00:00 +0000https://qtcovi.github.io/publication/2004-reduced-size-representations-of-high-quality-atomic-densities-the-hybrid-gaussia/Hirshfeld surfaces as approximations to interatomic surfaceshttps://qtcovi.github.io/publication/2002-hirshfeld-surfaces-as-approximations-to-interatomic-surfaces/Tue, 01 Jan 2002 00:00:00 +0000https://qtcovi.github.io/publication/2002-hirshfeld-surfaces-as-approximations-to-interatomic-surfaces/Practical embedding for ionic materials: Crystal-adapted pseudopotentials for the MgO crystalhttps://qtcovi.github.io/publication/2001-practical-embedding-for-ionic-materials-crystal-adapted-pseudopotentials-for-the/Mon, 01 Jan 2001 00:00:00 +0000https://qtcovi.github.io/publication/2001-practical-embedding-for-ionic-materials-crystal-adapted-pseudopotentials-for-the/Theoretical explanation of the uniform compressibility behavior observed in oxide spinelshttps://qtcovi.github.io/publication/2001-theoretical-explanation-of-the-uniform-compressibility-behavior-observed-in-oxid/Mon, 01 Jan 2001 00:00:00 +0000https://qtcovi.github.io/publication/2001-theoretical-explanation-of-the-uniform-compressibility-behavior-observed-in-oxid/Derivation of electron-gas interatomic potentials from quantum-mechanical descriptions of ions in crystalshttps://qtcovi.github.io/publication/1995-derivation-of-electron-gas-interatomic-potentials-from-quantum-mechanical-descri/Sun, 01 Jan 1995 00:00:00 +0000https://qtcovi.github.io/publication/1995-derivation-of-electron-gas-interatomic-potentials-from-quantum-mechanical-descri/Effects of a quantum crystal potential on the derivation of electron gas interionic energieshttps://qtcovi.github.io/publication/1995-effects-of-a-quantum-crystal-potential-on-the-derivation-of-electron-gas-interio/Sun, 01 Jan 1995 00:00:00 +0000https://qtcovi.github.io/publication/1995-effects-of-a-quantum-crystal-potential-on-the-derivation-of-electron-gas-interio/Static simulations of Cu + centers in alkali halideshttps://qtcovi.github.io/publication/1995-static-simulations-of-cu-centers-in-alkali-halides/Sun, 01 Jan 1995 00:00:00 +0000https://qtcovi.github.io/publication/1995-static-simulations-of-cu-centers-in-alkali-halides/Theoretical study of the coordination of the Cr3+ ion in alpha-Al2O3https://qtcovi.github.io/publication/1995-theoretical-study-of-the-coordination-of-the-cr3-ion-in-alpha-al2o3/Sun, 01 Jan 1995 00:00:00 +0000https://qtcovi.github.io/publication/1995-theoretical-study-of-the-coordination-of-the-cr3-ion-in-alpha-al2o3/Electronic structure and electronic excitations of solid neon from an ab initio atom-in-the-lattice approachhttps://qtcovi.github.io/publication/1992-electronic-structure-and-electronic-excitations-of-solid-neon-from-an-ab-initio-/Wed, 01 Jan 1992 00:00:00 +0000https://qtcovi.github.io/publication/1992-electronic-structure-and-electronic-excitations-of-solid-neon-from-an-ab-initio-/LOCAL WAVE-FUNCTIONS FOR MULTINEGATIVE IONS IN SOLIDShttps://qtcovi.github.io/publication/1991-local-wave-functions-for-multinegative-ions-in-solids/Tue, 01 Jan 1991 00:00:00 +0000https://qtcovi.github.io/publication/1991-local-wave-functions-for-multinegative-ions-in-solids/The theory of electronic separability and the properties of impurities and defects in ionic crystalshttps://qtcovi.github.io/publication/1991-the-theory-of-electronic-separability-and-the-properties-of-impurities-and-defec/Tue, 01 Jan 1991 00:00:00 +0000https://qtcovi.github.io/publication/1991-the-theory-of-electronic-separability-and-the-properties-of-impurities-and-defec/THEORETICAL COMPUTATION OF THE GYROMAGNETIC FACTOR FOR THE CR-3+ AND V-2+ IONS IN KMGF3https://qtcovi.github.io/publication/1991-theoretical-computation-of-the-gyromagnetic-factor-for-the-cr-3-and-v-2-ions-in-/Tue, 01 Jan 1991 00:00:00 +0000https://qtcovi.github.io/publication/1991-theoretical-computation-of-the-gyromagnetic-factor-for-the-cr-3-and-v-2-ions-in-/THEORETICAL D-D SPECTRUM OF CR3+MGOhttps://qtcovi.github.io/publication/1991-theoretical-d-d-spectrum-of-cr3-mgo/Tue, 01 Jan 1991 00:00:00 +0000https://qtcovi.github.io/publication/1991-theoretical-d-d-spectrum-of-cr3-mgo/THEORETICAL SPIN-ORBIT-COUPLING CONSTANTS FOR 3D IONS IN CRYSTALShttps://qtcovi.github.io/publication/1988-theoretical-spin-orbit-coupling-constants-for-3d-ions-in-crystals/Fri, 01 Jan 1988 00:00:00 +0000https://qtcovi.github.io/publication/1988-theoretical-spin-orbit-coupling-constants-for-3d-ions-in-crystals/ACCURATE CALCULATION OF SPIN-ORBIT-COUPLING CONSTANTS FOR 3D ATOMS AND IONS WITH EFFECTIVE CORE POTENTIALS AND REDUCED BASIS-SETShttps://qtcovi.github.io/publication/1987-accurate-calculation-of-spin-orbit-coupling-constants-for-3d-atoms-and-ions-with/Thu, 01 Jan 1987 00:00:00 +0000https://qtcovi.github.io/publication/1987-accurate-calculation-of-spin-orbit-coupling-constants-for-3d-atoms-and-ions-with/BASIS-SETS GENERATION - RELATION BETWEEN ADAMOWICZ AND THE MAXIMUM OVERLAP METHODhttps://qtcovi.github.io/publication/1987-basis-sets-generation-relation-between-adamowicz-and-the-maximum-overlap-method/Thu, 01 Jan 1987 00:00:00 +0000https://qtcovi.github.io/publication/1987-basis-sets-generation-relation-between-adamowicz-and-the-maximum-overlap-method/CORE PROJECTION EFFECTS IN NEAR-ABINITIO VALENCE CALCULATIONS .2. 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