Quick Navigation

Overview Topics Abstract Importance Paper Tools References Reactions Discussion Publication Related

Topics

Quantum Simulation Quantum Chemistry

Spin Dynamics in Open Quantum Systems: A DLvN-TDDFT Approach.

PubMed
Authors: Chavan KT, Hod O, Peralta JE

Year

2026

Paper ID

68708

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

82

Citations

N/A

Abstract

We present a spin-uncompensated driven Liouville-von Neumann methodology within the time-dependent density functional theory (DLvN-TDDFT) framework to model collinear electron spin transport in open quantum systems. After introducing and validating the approach, through benchmark simulations of spin-polarized transport in simple molecular junctions, we apply it to a magnetic zigzag graphene nanoribbon junction model under external electric fields. The simulations reveal rich spin-resolved current dynamics, highlighting the DLvN-TDDFT framework as a promising tool for exploring dynamical spintronic phenomena in low-dimensional open quantum systems.

Why This Paper Matters

  • This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
  • It adds a 2026 reference point for readers tracking recent quantum research.
  • We present a spin-uncompensated driven Liouville-von Neumann methodology within the time-dependent density functional theory (DLvN-TDDFT) framework to model collinear electron...

Paper Tools

Become a member to use research tools

Sign in to open papers, visit source links, share, cite, compare, copy DOI links, request category corrections, and build your reading list.

Become a member Sign in
Publisher Share Cite This Paper Copy URL Compare Copy DOI Add to Reading List Category Correction Request

References & Citation Signals

[1] DOI https://doi.org/10.1021/acs.jctc.5c01887 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/42187120/

Local Citation Graph (Related-Paper Links)

Current Paper #68708 #69535 Adiabatically-induced Kawaguchi... #69599 Tensor network compression usin... #69596 Comprehensive pKa Data Augmenta... #69594 A Collective-Spin Derivation of...

External citation index: OpenAlex citation signal

Community Reactions

Quick sentiment from readers on this paper.

Score: 0
Likes: 0 Dislikes: 0

Sign in to react to this paper.

Discussion & Reviews (Moderated)

Average Rating: 0.0 / 5 (0 ratings)

No written reviews yet.