The Driven Liouville von Neumann approach to electron dynamics in open quantum systems

O Hod, L Kronik - Israel journal of chemistry, 2023 - Wiley Online Library
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 …

Bounds on cross sections and lifetimes for dark matter annihilation and decay into charged leptons from gamma-ray observations of dwarf galaxies

R Essig, N Sehgal, LE Strigari - … Review D—Particles, Fields, Gravitation, and …, 2009 - APS
We provide conservative bounds on the dark matter cross section and lifetime from final
state radiation produced by annihilation or decay into charged leptons, either directly or via …

Effective Coupling Model to Treat the Odd–Even Effect on the Current–Voltage Response of Saturated Linear Carbon Chains Single-Molecule Junctions

H Cabrera-Tinoco, ACL Moreira… - ACS …, 2024 - ACS Publications
The calculation of the electrical charge transport properties of alkanes C n H 2 n S 2 with (n=
4–11) was performed to understand the odd–even effect on its current–voltage response …

Computational quantum transport

X Waintal, M Wimmer, A Akhmerov, C Groth… - arXiv preprint arXiv …, 2024 - arxiv.org
This review is devoted to the different techniques that have been developed to compute the
coherent transport properties of quantum nanoelectronic systems connected to electrodes …

First-principles investigation of transient current in molecular devices by using complex absorbing potentials

L Zhang, J Chen, J Wang - Physical Review B—Condensed Matter and …, 2013 - APS
Based on the nonequilibrium Green's function (NEGF) coupled with density function theory
(DFT), namely, NEGF-DFT quantum transport theory, we propose an efficient formalism to …

Substructure boosts to dark matter annihilation from Sommerfeld enhancement

J Bovy - Physical Review D—Particles, Fields, Gravitation, and …, 2009 - APS
The recently introduced Sommerfeld enhancement of the dark matter annihilation cross
section has important implications for the detection of dark matter annihilation in subhalos in …

Time-dependent density functional study of transport in molecular junctions

K Varga - Physical Review B—Condensed Matter and Materials …, 2011 - APS
Electron transport in nanostructures is calculated and compared using a time-independent
and a time-dependent first-principles framework. The time-independent approach uses the …

Complex absorbing potential based Lorentzian fitting scheme and time dependent quantum transport

H Xie, Y Kwok, F Jiang, X Zheng… - The Journal of chemical …, 2014 - pubs.aip.org
Based on the complex absorbing potential (CAP) method, a Lorentzian expansion scheme
is developed to express the self-energy. The CAP-based Lorentzian expansion of self …

Time-dependent density-functional theory for real-time electronic dynamics on material surfaces

R Wang, D Hou, X Zheng - Physical Review B—Condensed Matter and …, 2013 - APS
The real-time electronic dynamics on material surfaces is critically important to a variety of
applications. However, their simulations have remained challenging for conventional …

Modeling of ac quantum transport through imperfect carbon nanotube interconnects by means of nonequilibrium Green's functions

E Vanderstraeten, D Vande Ginste - Physical Review Applied, 2024 - APS
Because of their long mean free path and superior current-carrying capabilities, carbon
nanotubes (CNTs) are considered as an alternative for Cu in future interconnects. To …