First-principles computation of material properties: the ABINIT software project X Gonze, JM Beuken, R Caracas, F Detraux, M Fuchs, GM Rignanese, ...
Computational Materials Science 25 (3), 478-492, 2002
3808 2002 Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory X Gonze, C Lee
Physical Review B 55 (16), 10355, 1997
3689 1997 ABINIT: First-principles approach to material and nanosystem properties X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
3148 2009 The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table MJ Van Setten, M Giantomassi, E Bousquet, MJ Verstraete, DR Hamann, ...
Computer Physics Communications 226, 39-54, 2018
1671 2018 A brief introduction to the ABINIT software package X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005
1624 2005 Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
1414 2016 First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm X Gonze
Physical Review B 55 (16), 10337, 1997
1323 1997 Recent developments in the ABINIT software package X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer physics communications 205, 106-131, 2016
878 2016 Adiabatic density-functional perturbation theory X Gonze
Physical Review A 52 (2), 1096, 1995
762 1995 Identification and design principles of low hole effective mass p -type transparent conducting oxides G Hautier, A Miglio, G Ceder, GM Rignanese, X Gonze
Nature communications 4 (1), 2292, 2013
703 2013 Dynamical atomic charges: The case of P Ghosez, JP Michenaud, X Gonze
Physical Review B 58 (10), 6224, 1998
700 1998 Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure M Torrent, F Jollet, F Bottin, G Zérah, X Gonze
Computational Materials Science 42 (2), 337-351, 2008
686 2008 The Abinit project: Impact, environment and recent developments X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
646 2020 Analysis of separable potentials X Gonze, R Stumpf, M Scheffler
Physical Review B 44 (16), 8503, 1991
635 1991 Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory X Gonze, DC Allan, MP Teter
Physical Review Letters 68 (24), 3603, 1992
547 1992 Energetics of negatively curved graphitic carbon T Lenosky, X Gonze, M Teter, V Elser
Nature 355 (6358), 333-335, 1992
516 1992 Density-functional approach to nonlinear-response coefficients of solids X Gonze, JP Vigneron
Physical Review B 39 (18), 13120, 1989
503 1989 V. peybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351, 1415-1423, 2016
451 2016 Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series CJ Umrigar, X Gonze
Physical Review A 50 (5), 3827, 1994
447 1994 Perturbation expansion of variational principles at arbitrary order X Gonze
Physical Review A 52 (2), 1086, 1995
437 1995 
Gian-Marco RignaneseDirecteur de Recherches F.R.S.-FNRS / Professeur UCLouvainEmail được xác minh tại uclouvain.be