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Adiabatic connection in spin-current density functional theory

Jacques Desmarais , Jean-Pierre Flament , Alessandro Erba
Physical Review B, 2020, 102 (23), ⟨10.1103/PhysRevB.102.235118⟩
Journal articles hal-03095209v1

Spin–orbit coupling from a two-component self-consistent approach. II. Non-collinear density functional theories

Jacques Desmarais , Stanislav Komorovsky , Jean-Pierre Flament , Alessandro Erba
Journal of Chemical Physics, 2021, 154 (20), pp.204110. ⟨10.1063/5.0051447⟩
Journal articles hal-03265409v1

Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface

Alessandro Erba , Jefferson Maul , Matteo Ferrabone , Philippe Carbonnière , Michel Rérat , et al.
Journal of Chemical Theory and Computation, 2019, ⟨10.1021/acs.jctc.9b00293⟩
Journal articles hal-02123168v1

Spin current density functional theory of Weyl semimetals

Filippo Bodo , Jacques Desmarais , Alessandro Erba
Physical Review B, 2022, 105 (12), pp.125108. ⟨10.1103/PhysRevB.105.125108⟩
Journal articles hal-03621476v1

Anharmonic Vibrational States of Solids from DFT Calculations. Part II: Implementation of the VSCF and VCI Methods

Alessandro Erba , Jefferson Maul , Matteo Ferrabone , Roberto Dovesi , Michel Rérat , et al.
Journal of Chemical Theory and Computation, 2019, ⟨10.1021/acs.jctc.9b00294⟩
Journal articles hal-02123171v1