Time-dependent density-functional theory: concepts and applications
CA Ullrich - 2011 - books.google.com
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …
interacting electronic many-body systems formally exactly and in a practical and efficient …
Nanoscale memory devices
This article reviews the current status and future prospects for the use of nanomaterials and
devices in memory technology. First, the status and continuing scaling trends of the flash …
devices in memory technology. First, the status and continuing scaling trends of the flash …
Time-dependent quantum transport: A practical scheme using density functional theory
We present a computationally tractable scheme of time-dependent transport phenomena
within open-boundary time-dependent density functional theory. Within this approach all the …
within open-boundary time-dependent density functional theory. Within this approach all the …
Time-dependent density functional theory
Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …
density-functional theory (DFT) to the treatment of excitations and of more general time …
Multiscale modelling in biofluidynamics: application to reconstructive paediatric cardiac surgery
Multiscale computing is a challenging area even in biomechanics. Application of such a
methodology to quantitatively compare postoperative hemodynamics in congenital heart …
methodology to quantitatively compare postoperative hemodynamics in congenital heart …
Dust-particle transport in tokamak edge plasmas
AY Pigarov, SI Krasheninnikov, TK Soboleva… - Physics of …, 2005 - pubs.aip.org
Dust particulates in the size range of 10 nm–100 μ m are found in all fusion devices. Such
dust can be generated during tokamak operation due to strong plasma∕ material-surface …
dust can be generated during tokamak operation due to strong plasma∕ material-surface …
Correlated electron transport in molecular electronics
P Delaney, JC Greer - Physical review letters, 2004 - APS
Theoretical and experimental values to date for the resistances of single molecules
commonly disagree by orders of magnitude. By reformulating the transport problem using …
commonly disagree by orders of magnitude. By reformulating the transport problem using …
Switching in molecular transport junctions: polarization response
We discuss several proposed explanations for the switching and negative differential
resistance (NDR) behavior seen in some molecular junctions. Several theoretical models …
resistance (NDR) behavior seen in some molecular junctions. Several theoretical models …
The Driven Liouville von Neumann approach to electron dynamics in open quantum systems
Abstract The driven Liouville von Neumann approach is a method to computationally
explore electron dynamics and transport in nanoscale systems. It does so by imposing open …
explore electron dynamics and transport in nanoscale systems. It does so by imposing open …
Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of N-Phenylbenzamide
We report a systematic computational search of molecular frameworks for intrinsic
rectification of electron transport. The screening of molecular rectifiers includes 52 …
rectification of electron transport. The screening of molecular rectifiers includes 52 …