activity
20022026
most citedTime-dependent density-functional theory beyond the adiabatic approximation: insights from a two-electron model system

121 citations · 1.3k across the 46 of their papers we have counts for

collaborators

46 papers

cond-mat.mes-hall2026

Coulomb blockade-like transport and enhanced memory in organic transistors embedded with sub-nm Pt nanoparticles for neuromorphic computing

Arash Ghobadi, Thomas B. Kallaos, Abhi Abhijeet +5

Organic transistors are playing an increasingly important role for neuromorphic applications. However, devices that rely solely on ferroelectric switching or on interface traps for…

cond-mat.str-el2023★ 12 cited

Magnetization dynamics with time-dependent spin-density functional theory: significance of exchange-correlation torques

Daniel Hill, Justin Shotton, Carsten A. Ullrich

In spin-density-functional theory (SDFT) for noncollinear magnetic materials, the Kohn-Sham system features exchange-correlation (xc) scalar potentials and magnetic fields. The sig…

cond-mat.mtrl-sci2022★ 11 cited

Exchange torque in noncollinear spin density functional theory with a semilocal exchange functional

Nicolas Tancogne-Dejean, Angel Rubio, Carsten A. Ullrich

We present a semilocal exchange-correlation energy functional for noncollinear spin density functional theory based on short-range expansions of the spin-resolved exchange hole and…

cond-mat.mtrl-sci2022★ 14 cited

Temperature-dependent dielectric function of intrinsic silicon: Analytic models and atom-surface potentials

C. Moore, C. M. Adhikari, T. Das +3

The optical properties of monocrystalline, intrinsic silicon are of interest for technological applications as well as fundamental studies of atom-surface interactions. For an enha…

cond-mat.mes-hall2021★ 3 cited

Spin waves in doped graphene: a time-dependent spin-density-functional approach to collective excitations in paramagnetic two-dimensional Dirac fermion gases

Matthew J. Anderson, Florent Perez, Carsten A. Ullrich

In spin-polarized itinerant electron systems, collective spin-wave modes arise from dynamical exchange and correlation (xc) effects. We here consider spin waves in doped paramagnet…

cond-mat.mtrl-sci2021★ 53 cited

Real-time exciton dynamics with time-dependent density-functional theory

Jiuyu Sun, Cheng-Wei Lee, Alina Kononov +2

Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation…