Showing items with similar title or keywords.

• Merging Features from Green's Functions and Time Dependent Density Functional Theory : A Route to the Description of Correlated Materials out of Equilibrium? 

  Hopjan, M.; Karlsson, Daniel; Ydman, S.; Verdozzi, C.; Almbladh, C.-O. (American Physical Society, 2016)

  We propose a description of nonequilibrium systems via a simple protocol that combines exchangecorrelation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed ...

• Developments in many-body theory of quantum transport and spectroscopy with non-equilibrium Green's functions and time-dependent density functional theory 

  Uimonen, Anna-Maija (University of Jyväskylä, 2015)

  The problem of quantum dynamics in open systems has gained attention in recent decades and not the least due to the advances made in quantum transport in molecular systems. The main motivation behind quantum transport ...

• Analytic density-functionals with initial-state dependence and memory 

  Ruggenthaler, Michael; Nielsen, S.E.B.; van Leeuwen, Robert (American Physical Society, 2013)

  We analytically construct the wave function that, for a given initial state, produces a prescribed density for a quantum ring with two noninteracting particles in a singlet state. In this case the initial state is ...

• Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal–organic clusters 

  Makkonen, Esko; Rossi, Tuomas P.; Larsen, Ask Hjorth; Lopez-Acevedo, Olga; Rinke, Patrick; Kuisma, Mikael; Chen, Xi (AIP Publishing, 2021)

  Electronic circular dichroism (ECD) is a powerful spectroscopy method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-response time-dependent density functional ...

• Time-dependent density-functional theory for strongly correlated electrons 

  Cort Barrada, Luis (2019)

  One of the most used methods in condensed matter theory and quantum chemistry for the description of matter properties is Time-dependent density-functional theory (TDDFT), an alternative formalism to wave function methods ...