Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (249)
Analyzing the response of exchange–correlation potentials of chain-like molecules to electric fields by Kohn–Sham inversion and evaluation of the response within the random phase approximation (2025)
Trushin E, Mandalia R, Görling A
Journal article
Mixed Gaussian and plane wave basis set implementation of the random phase approximation and of σ-functionals within the program package CP2K (2025)
Mandalia R, Trushin E, Stein F, Kühne TD, Görling A
Journal article
Formation of hexagonal binary crystals in additive hard disk mixtures (2025)
Rayavarapu AN, Panchi N, Engel M, Bommineni PK
Journal article
Quantum tunneling and anti-tunneling across entropic barriers (2025)
Malgaretti P, Petiziol F, Schnell A
Journal article
Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies (2025)
Oberti L, Avaldi L, Bolognesi P, Bonanomi M, Borrego-Varillas R, Callegari C, Carlini L, et al.
Journal article
Hydrogen diffusion in the confinement between graphene and Ni(111): Full-dimensional simulation of nuclear quantum effects (2025)
Steffen J
Journal article
Assessment of RPA and σ-functional methods for the calculation of dipole moments and static polarizabilities and hyperpolarizabilities (2025)
Mandalia R, Fauser S, Trushin E, Görling A
Journal article
Efficient treatment of long-range electrostatics in charge equilibration approaches (2025)
Savvidi K, Ahrens-Iwers L, Colombi Ciacchi L, Zahn D, Müser MH, Meißner RH
Journal article
Highly precise values for the energy ratios underlying the Lieb-Oxford bound and the convexity conjecture for the adiabatic connection (2025)
Fauser S, Trushin E, Görling A
Journal article
Dynamic nuclear polarization mechanisms using TEMPOL and trityl OX063 radicals at 1 T and 77 K (2025)
Vaneeckhaute E, Bocquelet C, Rougier N, Jegadeesan SA, Vinod-Kumar S, Mathies G, Melzi R, et al.
Journal article