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Comparison of local density functionals based on electron gas and finite systems

 Mike Entwistle , Michele Casula , Rex Godby
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 97 (23), ⟨10.1103/PhysRevB.97.235143⟩
Article dans une revue hal-01886194v1

Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited

 Michele Casula , Saverio Moroni , Sandro Sorella , Claudia Filippi
Journal of Chemical Physics, 2010, 132 (15), ⟨10.1063/1.3380831⟩
Article dans une revue hal-01886290v1

Dynamical screening in correlated electron systems—from lattice models to realistic materials

 Philipp Werner , Michele Casula
Journal of Physics: Condensed Matter, 2016, 28 (38), ⟨10.1088/0953-8984/28/38/383001⟩
Article dans une revue hal-01886276v1
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High-pressure structure and electronic properties of YbD 2 to 34 GPa

 S. Klotz , M. Casula , K. Komatsu , S. Machida , T. Hattori
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2019, 100 (2), ⟨10.1103/PhysRevB.100.020101⟩
Article dans une revue hal-02289321v1

Satellites and large doping and temperature dependence of electronic properties in hole-doped BaFe2As2

 Philipp Werner , Michele Casula , Takashi Miyake , Ferdi Aryasetiawan , Andrew J. Millis , et al.
Nature Physics, 2013, sous presse. ⟨10.1038/NPHYS2250⟩
Article dans une revue hal-00796567v1

Dispersion effects in SiO2 polymorphs: An ab initio study

 Henri Hay , Guillaume Ferlat , Michele Casula , Ari Paavo Seitsonen , Francesco Mauri
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92, pp.144111. ⟨10.1103/PhysRevB.92.144111⟩
Article dans une revue hal-01237678v1
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Order from disorder phenomena in BaCoS2

 Benjamin Lenz , Michele Fabrizio , Michele Casula
Communications Physics, 2024, 7 (1), pp.35. ⟨10.1038/s42005-023-01514-4⟩
Article dans une revue hal-04397716v1
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High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations

 Maria Hellgren , Damian Contant , Thomas Pitts , Michele Casula
Physical Review Research, 2022, 4 (4), pp.L042009. ⟨10.1103/physrevresearch.4.l042009⟩
Article dans une revue hal-03866610v1
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Photoinduced renormalization and electronic screening of quasi-two-dimensional Dirac states in BaNiS$_2$

 Niloufar Nilforoushan , Michele Casula , Marco Caputo , Evangelos Papalazarou , Jonathan Caillaux , et al.
Physical Review Research, 2020, 2 (4), ⟨10.1103/PhysRevResearch.2.043397⟩
Article dans une revue hal-03070498v2

Quantum Monte Carlo Study of the Protonated Water Dimer

 Mario Dagrada , Michele Casula , Antonino M. Saitta , Sandro Sorella , Francesco Mauri
Journal of Chemical Theory and Computation, 2014, 10, pp.1980-1993. ⟨10.1021/ct401077x⟩
Article dans une revue hal-01003711v1

Improper s -wave symmetry of the electronic pairing in iron-based superconductors by first-principles calculations

 Michele Casula , Sandro Sorella
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 88 (15), ⟨10.1103/PhysRevB.88.155125⟩
Article dans une revue hal-01886282v1
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Accurate modeling of FeSe with screened Fock exchange and Hund metal correlations

 Tommaso Gorni , Pablo Villar Arribi , Michele Casula , Luca De' Medici
Physical Review B, 2021, 104 (1), ⟨10.1103/PhysRevB.104.014507⟩
Article dans une revue hal-03450369v1

Hydrogen phase-IV characterization by full account of quantum anharmonicity

 Tommaso Morresi , Rodolphe Vuilleumier , Michele Casula
Physical Review B, 2022, 106 (5), pp.054109. ⟨10.1103/PhysRevB.106.054109⟩
Article dans une revue hal-03779483v1
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Polyamorphism of a Ce-based bulk metallic glass by high-pressure and high-temperature density measurements

 F. Decremps , Guillaume Morard , G. Garbarino , M. Casula
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93 (5), ⟨10.1103/PhysRevB.93.054209⟩
Article dans une revue hal-01921085v1

Quantum phase diagram of high-pressure hydrogen

 Lorenzo Monacelli , Michele Casula , Kousuke Nakano , Sandro Sorella , Francesco Mauri
Nature Physics, 2023, ⟨10.1038/s41567-023-01960-5⟩
Article dans une revue hal-04049753v1

Spin resolved energy parametrization of a quasi-one-dimensional electron gas

 Luke Shulenburger , Michele Casula , Gaetano Senatore , Richard M. Martin , Richard Martin
Journal of Physics A: Mathematical and Theoretical, 2009, 42 (21), ⟨10.1088/1751-8113/42/21/214021⟩
Article dans une revue hal-01886304v1
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Large Temperature Dependence of the Number of Carriers in Co-Doped BaFe 2 As 2

 V. Brouet , Ping-Hui Lin , Y. Texier , J. Bobroff , A. Taleb-Ibrahimi , et al.
Physical Review Letters, 2013, 110 (16), pp.167002. ⟨10.1103/PhysRevLett.110.167002⟩
Article dans une revue cea-01440334v1

Hexatic and Mesoscopic Phases in a 2D Quantum Coulomb System

 Bryan K. Clark , Bryan Clark , Michele Casula , D. Ceperley
Physical Review Letters, 2009, 103 (5), ⟨10.1103/PhysRevLett.103.055701⟩
Article dans une revue hal-01886293v1

Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics

 Félix Mouhat , Sandro Sorella , Rodolphe Vuilleumier , Antonino Marco Saitta , Michele Casula
Journal of Chemical Theory and Computation, 2017, 13 (6), pp.2400 - 2417. ⟨10.1021/acs.jctc.7b00017⟩
Article dans une revue hal-01886270v1

Competing collinear magnetic structures in superconducting FeSe by first-principles quantum Monte Carlo calculations

 Brian Busemeyer , Mario Dagrada , Sandro Sorella , Michele Casula , Lucas K. Wagner , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 94 (3), ⟨10.1103/PhysRevB.94.035108⟩
Article dans une revue hal-01886273v1

Combined GW and dynamical mean-field theory: Dynamical screening effects in transition metal oxides

 Jan M. Tomczak , Michele Casula , Takashi Miyake , Ferdi Aryasetiawan , Silke Biermann
EPL - Europhysics Letters, 2012, 100, pp.67001. ⟨10.1209/0295-5075/100/67001⟩
Article dans une revue hal-00796529v1

Low-Energy Models for Correlated Materials: Bandwidth Renormalization from Coulombic Screening

 M. Casula , Ph. Werner , L. Vaugier , F. Aryasetiawan , T. Miyake , et al.
Physical Review Letters, 2012, 109, pp.126408. ⟨10.1103/PhysRevLett.109.126408⟩
Article dans une revue hal-00796598v1

TurboRVB: a many-body toolkit for {\it ab initio} electronic simulations by quantum Monte Carlo

 Claudio Attaccalite , Michele Casula
2020
Pré-publication, Document de travail hal-02484178v1

Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations

 Kousuke Nakano , Tommaso Morresi , Michele Casula , Ryo Maezono , Sandro Sorella
Physical Review B, 2021, 103 (12), ⟨10.1103/PhysRevB.103.L121110⟩
Article dans une revue hal-03450370v1

Moving Dirac nodes by chemical substitution

 Niloufar Nilforoushan , Michele Casula , Adriano Amaricci , Marco Caputo , Jonathan Caillaux , et al.
Proceedings of the National Academy of Sciences of the United States of America, 2021, 118 (33), pp.e2108617118. ⟨10.1073/pnas.2108617118⟩
Article dans une revue hal-03450366v1
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Rashba coupling amplification by a staggered crystal field

 David Santos-Cottin , Michele Casula , Gabriel Lantz , Yannick Klein , Luca Petaccia , et al.
Nature Communications, 2016, 7, pp.11258. ⟨10.1038/ncomms11258⟩
Article dans une revue hal-01320032v1

Anomalous metallic state in quasi-two-dimensional BaNiS2

 David Santos-Cottin , Andrea Gauzzi , Marine Verseils , Benoit Baptiste , Gwendal Feve , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93 (12), pp.125120. ⟨10.1103/PhysRevB.93.125120⟩
Article dans une revue hal-01307113v1

Dynamical screening effects in correlated materials: Plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory

 Michele Casula , Alexey Rubtsov , Silke Biermann
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85, pp.035115. ⟨10.1103/PhysRevB.85.035115⟩
Article dans une revue hal-00796607v1

Resonating valence bond wave function with molecular orbitals: Application to first-row molecules

 Mariapia Marchi , Sam Azadi , Michele Casula , Sandro Sorella
Journal of Chemical Physics, 2009, 131 (15), ⟨10.1063/1.3249966⟩
Article dans une revue hal-01886294v1

Rényi entropy of a quantum anharmonic chain at nonzero temperature

 Miha Srdinšek , Michele Casula , Rodolphe Vuilleumier
Physical Review B, 2023, 108 (24), pp.245121. ⟨10.1103/PhysRevB.108.245121⟩
Article dans une revue hal-04336472v1
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