Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory

Mariachiara Pastore (1) , Xavier Assfeld (1) , Edoardo Mosconi (2, 3) , Antonio Monari (1) , Thibaud Etienne (4)

1 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes
2 CLHYO - Computational Laboratory for Hybrid/Organic Photovoltaics
3 IIT - Istituto Italiano di Tecnologia
4 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier

Domaines: Chimie théorique et/ou physique

Mariachiara Pastore, Xavier Assfeld, Edoardo Mosconi, Antonio Monari, Thibaud Etienne. Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory. Journal of Chemical Physics, 2017, 147 (2), pp.024108. ⟨10.1063/1.4991561⟩. ⟨hal-01649959⟩