The European Physical Journal B

Time-dependent generalized Kohn–Sham theory 170

An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables 169

CT-MQC – a coupled-trajectory mixed quantum/classical method including nonadiabatic quantum coherence effects 168

Ab initio study of the (2 × 2) phase of barium on graphene 165

Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer 162

Dissipative quantum dynamics and optimal control using iterative time ordering: an application to superconducting qubits 161

Asymptotic nodal planes in the electron density and the potential in the effective equation for the square root of the density 160

On the challenge to improve the density response with unusual gradient approximations 159

Local vertex corrections from exchange-correlation kernels with a discontinuity 155

Exchange and correlation in finite-temperature TDDFT 153

Pulse shape and molecular orientation determine the attosecond charge migration in Caffeine 152

Natural orbitals of helium in linearly polarized laser fields 151

Assessment of quality and reliability of band structures from exact-exchange-only Kohn–Sham, hybrid, and GW methods 149

Second generation Car-Parrinello MD: application to the h-BN/Rh(111) nanomesh 148

Exact-exchange optimized effective potential and memory effect in time-dependent density functional theory 147

An exact-factorization perspective on quantum-classical approaches to excited-state dynamics 143

Linear response time-dependent density functional theory of the Hubbard dimer 142

When the exact factorization meets conical intersections... 141

Nuclear quantum effects in electronic (non)adiabatic dynamics 139

Visualizing electronic excitations with the particle-hole map: orbital localization and metric space analysis 137

How sharply does the Anderson model depict a single-electron transistor? 136

Landauer’s limit and the physicality of information 156

Micro electro-mechanical logic device at fundamental energy limit 135

Pentameric PdAu and PdPt nanoparticles on the MgO(1 0 0) surface and their CO and O₂ adsorption properties 138