Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Yaling Ke"'
A new approach to calculating current-induced forces in charge transport through nanosystems is introduced. Starting from the fully quantum mechanical hierarchical equations of motion formalism, a timescale separation between electronic and vibration
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::011c8d3aa7feea0ad83c5a6ff16a57dc
http://arxiv.org/abs/2211.14215
http://arxiv.org/abs/2211.14215
Publikováno v:
The Journal of chemical physics. 157(3)
The study of chemical reactions in environments under nonequilibrium conditions has been of interest recently in a variety of contexts, including current-induced reactions in molecular junctions and scanning tunneling microscopy experiments. In this
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e74574ffad01bd59f9430c64d4c3bdec
https://pubmed.ncbi.nlm.nih.gov/35868939
https://pubmed.ncbi.nlm.nih.gov/35868939
We present a hierarchical equations of motion approach, which allows a numerically exact simulation of nonequilibrium transport in general open quantum systems involving multiple macroscopic bosonic and fermionic environments. The performance of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ab648ff42396100fb28d185577f0385
http://arxiv.org/abs/2102.09484
http://arxiv.org/abs/2102.09484
Publikováno v:
Phys. Rev. B.
The interaction between electronic and nuclear degrees of freedom in single-molecule junctions is an essential mechanism, which may result in the current-induced rupture of chemical bonds. As such, it is fundamental for the stability of molecular jun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4da6ffcc78023a67f0401197e6b1a8f9
http://arxiv.org/abs/2008.00481
http://arxiv.org/abs/2008.00481
Publikováno v:
The Journal of chemical physics. 153(3)
The vibrationally resolved absorption spectra of zinc phthalocyanine (ZnPc) aggregates (up to 70 monomers) are explored using the non-Markovian stochastic Schrodinger equation. Various types of local excitations, charge-transfer (CT) excitations, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::137be02265fe46d9ea6629e3150dcc3a
https://pubmed.ncbi.nlm.nih.gov/32716176
https://pubmed.ncbi.nlm.nih.gov/32716176
Publikováno v:
Molecular Physics. 116:813-822
The hierarchy of stochastic Schrodinger equation, previously developed under the unpolarised initial bath states, is extended in this paper for open quantum dynamics under polarised initial bath conditions. The method is proved to be a powerful tool
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16caa9b30ad86ed234435cc7176427d3
https://doi.org/10.1080/00268976.2018.1430385
https://doi.org/10.1080/00268976.2018.1430385
Publikováno v:
Journal of Chemical Physics; 11/14/2017, Vol. 147 Issue 18, p1-11, 11p, 7 Graphs
Publikováno v:
Journal of Chemical Physics; 2017, Vol. 146 Issue 21, p1-8, 8p, 4 Graphs
Publikováno v:
Journal of Chemical Physics; 2017, Vol. 146 Issue 17, p1-14, 14p, 2 Diagrams, 4 Graphs
Publikováno v:
Journal of Chemical Physics; 2016, Vol. 145 Issue 2, p1-15, 15p, 6 Charts, 6 Graphs