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Results: 1-25/37
Authors:
GHOSEZ P
MICHENAUD JP
GONZE X
Citation: P. Ghosez et al., DYNAMICAL ATOMIC CHARGES - THE CASE OF ABO(3) COMPOUNDS, Physical review. B, Condensed matter, 58(10), 1998, pp. 6224-6240
Authors:
DETRAUX F
GHOSEZ P
GONZE X
Citation: F. Detraux et al., LONG-RANGE COULOMB INTERACTION IN ZRO2, Physical review letters, 81(15), 1998, pp. 3297-3297
Authors:
TRAVALY Y
BERTRAND P
RIGNANESE GM
GONZE X
Citation: Y. Travaly et al., THEORETICAL MODELING OF THE NUCLEATION AND GROWTH OF ALUMINUM FILMS THERMALLY EVAPORATED ONTO POLY(ETHYLENE-TEREPHTHALATE) SUBSTRATE, The Journal of adhesion, 66(1-4), 1998, pp. 339-355
Authors:
GHOSEZ P
GONZE X
MICHENAUD JP
Citation: P. Ghosez et al., AB-INITIO PHONON-DISPERSION CURVES AND INTERATOMIC FORCE-CONSTANTS OFBARIUM-TITANATE, Ferroelectrics, 206(1-4), 1998, pp. 205-217
Authors:
SAVIN A
UMRIGAR CJ
GONZE X
Citation: A. Savin et al., RELATIONSHIP OF KOHN-SHAM EIGENVALUES TO EXCITATION-ENERGIES, Chemical physics letters, 288(2-4), 1998, pp. 391-395
Authors:
DETRAUX F
GHOSEZ P
GONZE X
Citation: F. Detraux et al., ANOMALOUSLY LARGE BORN EFFECTIVE CHARGES IN CUBIC WO3, Physical review. B, Condensed matter, 56(3), 1997, pp. 983-985
Authors:
GHOSEZ P
GONZE X
GODBY RW
Citation: P. Ghosez et al., LONG-WAVELENGTH BEHAVIOR OF THE EXCHANGE-CORRELATION KERNEL IN THE KOHN-SHAM THEORY OF PERIODIC-SYSTEMS, Physical review. B, Condensed matter, 56(20), 1997, pp. 12811-12817
Authors:
LEE CY
GONZE X
Citation: Cy. Lee et X. Gonze, SIO2 STISHOVITE UNDER HIGH-PRESSURE - DIELECTRIC AND DYNAMICAL PROPERTIES AND THE FERROELASTIC PHASE-TRANSITION, Physical review. B, Condensed matter, 56(12), 1997, pp. 7321-7330
Authors:
GONZE X
Citation: X. Gonze, FIRST-PRINCIPLES RESPONSES OF SOLIDS TO ATOMIC DISPLACEMENTS AND HOMOGENEOUS ELECTRIC-FIELDS - IMPLEMENTATION OF A CONJUGATE-GRADIENT ALGORITHM, Physical review. B, Condensed matter, 55(16), 1997, pp. 10337-10354
Authors:
GONZE X
LEE C
Citation: X. Gonze et C. Lee, DYNAMICAL MATRICES, BORN EFFECTIVE CHARGES, DIELECTRIC PERMITTIVITY TENSORS, AND INTERATOMIC FORCE-CONSTANTS FROM DENSITY-FUNCTIONAL PERTURBATION-THEORY, Physical review. B, Condensed matter, 55(16), 1997, pp. 10355-10368
Authors:
RIGNANESE GM
PASQUARELLO A
CHARLIER JC
GONZE X
CAR R
Citation: Gm. Rignanese et al., NITROGEN INCORPORATION AT SI(001)-SIO2 INTERFACES - RELATION BETWEEN N 1S CORE-LEVEL SHIFTS AND MICROSCOPIC STRUCTURE, Physical review letters, 79(25), 1997, pp. 5174-5177
Authors:
GONZE X
GHOSEZ P
GODBY RW
Citation: X. Gonze et al., DENSITY-FUNCTIONAL THEORY OF POLAR INSULATORS, Physical review letters, 78(2), 1997, pp. 294-297
Authors:
GONZE X
GHOSEZ P
GODBY RW
Citation: X. Gonze et al., POLARIZATION DEPENDENCE OF THE EXCHANGE ENERGY, Physical review letters, 78(10), 1997, pp. 2029-2029
Authors:
FILIPPI C
UMRIGAR CJ
GONZE X
Citation: C. Filippi et al., EXCITATION-ENERGIES FROM DENSITY-FUNCTIONAL PERTURBATION-THEORY, The Journal of chemical physics, 107(23), 1997, pp. 9994-10002
Authors:
GHOSEZ P
GONZE X
MICHENAUD JP
Citation: P. Ghosez et al., LATTICE-DYNAMICS AND FERROELECTRIC INSTABILITY OF BARIUM-TITANATE, Ferroelectrics, 194(1-4), 1997, pp. 39-54
Authors:
FILIPPI C
UMRIGAR CJ
GONZE X
Citation: C. Filippi et al., SEPARATION OF THE EXCHANGE-CORRELATION POTENTIAL INTO EXCHANGE PLUS CORRELATION - AN OPTIMIZED EFFECTIVE POTENTIAL APPROACH, Physical review. A, 54(6), 1996, pp. 4810-4814
Authors:
GONZE X
Citation: X. Gonze, ADIABATIC DENSITY-FUNCTIONAL PERTURBATION-THEORY (VOL 52, PG 1096, 1995), Physical review. A, 54(5), 1996, pp. 4591-4591
Authors:
GHOSEZ P
GONZE X
MICHENAUD JP
Citation: P. Ghosez et al., COULOMB INTERACTION AND FERROELECTRIC INSTABILITY OF BATIO3, Europhysics letters, 33(9), 1996, pp. 713-718
Authors:
GONZE X
Citation: X. Gonze, TOWARDS A POTENTIAL-BASED CONJUGATE-GRADIENT ALGORITHM FOR ORDER-N SELF-CONSISTENT TOTAL-ENERGY CALCULATIONS, Physical review. B, Condensed matter, 54(7), 1996, pp. 4383-4386
Authors:
RIGNANESE GM
MICHENAUD JP
GONZE X
Citation: Gm. Rignanese et al., AB-INITIO STUDY OF THE VOLUME DEPENDENCE OF DYNAMICAL AND THERMODYNAMICAL PROPERTIES OF SILICON, Physical review. B, Condensed matter, 53(8), 1996, pp. 4488-4497
Authors:
GONZE X
Citation: X. Gonze, PERTURBATION EXPANSION OF VARIATIONAL-PRINCIPLES AT ARBITRARY ORDER, Physical review. A, 52(2), 1995, pp. 1086-1095
Authors:
GONZE X
Citation: X. Gonze, ADIABATIC DENSITY-FUNCTIONAL PERTURBATION-THEORY, Physical review. A, 52(2), 1995, pp. 1096-1114
Authors:
LEE XCY
GONZE X
Citation: Xcy. Lee et X. Gonze, THE PRESSURE-INDUCED FERROELASTIC PHASE-TRANSITION OF SIO2 STISHOVITE, Journal of physics. Condensed matter, 7(19), 1995, pp. 3693-3698
Authors:
CHARLIER JC
GONZE X
MICHENAUD JP
Citation: Jc. Charlier et al., FIRST-PRINCIPLES STUDY OF CARBON NANOTUBE SOLID-STATE PACKINGS, Europhysics letters, 29(1), 1995, pp. 43-48
Authors:
RIGNANESE GM
GHOSEZ P
CHARLIER JC
MICHENAUD JP
GONZE X
Citation: Gm. Rignanese et al., SCALING HYPOTHESIS FOR CORRECTIONS TO TOTAL-ENERGY AND STRESS IN PLANE-WAVE-BASED AB-INITIO CALCULATIONS, Physical review. B, Condensed matter, 52(11), 1995, pp. 8160-8178