Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (224)
Spin-orbit coupling corrections for the GFN-xTB method (2023)
Jha G, Heine T
Journal article
Geometries and vibrational frequencies with Kohn-Sham methods using σ -functionals for the correlation energy (2023)
Neiß C, Fauser S, Görling A
Journal article
A specific MNDO parameterization for water (2023)
Hennemann M, Clark T
Journal article
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study (2022)
Ghosh A, Jana S, Rauch T, Tran F, Marques MA, Botti S, Constantin LA, et al.
Journal article
Scaled σ -functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas (2022)
Erhard J, Fauser S, Trushin E, Görling A
Journal article
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