Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (239)
The contribution of intermolecular spin interactions to the London dispersion forces between chiral molecules (2022)
Geyer M, Gutierrez R, Mujica V, Silva JFR, Dianat A, Cuniberti G
Journal article
Numerically stable inversion approach to construct Kohn-Sham potentials for given electron densities within a Gaussian basis set framework (2022)
Erhard J, Trushin E, Görling A
Journal article
High-resolution vibronic spectroscopy of a single molecule embedded in a crystal (2022)
Zirkelbach J, Mirzaei M, Deperasińska I, Kozankiewicz B, Gurlek B, Shkarin A, Utikal T, et al.
Journal article
Excitation localization in a trimeric perylenediimide macrocycle: Synthesis, theory, and single molecule spectroscopy (2022)
Hauschildt SJ, Wu Z, Uersfeld D, Schmid P, Goetz C, Engel V, Engels B, et al.
Journal article
Comment on "Communication: Is directed percolation in colloid-polymer mixtures linked to dynamic arrest?' (2022)
Schmiedeberg M
Journal article, other
Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues (2021)
Fauser S, Trushin E, Neiß C, Görling A
Journal article
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals (2021)
Tran F, Doumont J, Kalantari L, Blaha P, Rauch T, Borlido P, Botti S, et al.
Journal article
Numerically stable optimized effective potential method with standard Gaussian basis sets (2021)
Trushin E, Görling A
Journal article
Data-driven equation for drug-membrane permeability across drugs and membranes (2021)
Dutta A, Vreeken J, Ghiringhelli LM, Bereau T
Journal article
Light matter quantum dynamics of complex laser-driven systems (2021)
Gonoskov I, Gräfe S
Journal article