Surface chemistry of porphyrins and phthalocyanines

JM Gottfried - Surface Science Reports, 2015 - Elsevier
This review covers the surface chemistry of porphyrins, phthalocyanines, their metal
complexes, and related compounds, with particular focus on chemical reactions at …

HEOM‐QUICK2: A general‐purpose simulator for fermionic many‐body open quantum systems—An update

D Zhang, L Ye, J Cao, Y Wang, RX Xu… - Wiley …, 2024 - Wiley Online Library
Many‐body open quantum systems (OQSs) have a profound impact on various
subdisciplines of physics, chemistry, and biology. Thus, the development of a computer …

[HTML][HTML] Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (HEOM)

Y Tanimura - The Journal of chemical physics, 2020 - pubs.aip.org
An open quantum system refers to a system that is further coupled to a bath system
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …

HEOM‐QUICK: a program for accurate, efficient, and universal characterization of strongly correlated quantum impurity systems

LZ Ye, X Wang, D Hou, RX Xu… - Wiley Interdisciplinary …, 2016 - Wiley Online Library
Accurate characterization of correlated electronic states, as well as their evolution under
external fields or in dissipative environment, is essentially important for understanding the …

Hierarchical equations of motion approach for accurate characterization of spin excitations in quantum impurity systems

D Zhang, L Zuo, L Ye, ZH Chen, Y Wang… - The Journal of …, 2023 - pubs.aip.org
Recent technological advancement in scanning tunneling microscopes has enabled the
measurement of spin-field and spin–spin interactions in single atomic or molecular junctions …

Influence of electron correlation on the electronic structure and magnetism of transition-metal phthalocyanines

IE Brumboiu, S Haldar, J Luder… - Journal of Chemical …, 2016 - ACS Publications
There exists an extensive literature on the electronic structure of transition-metal
phthalocyanines (TMPcs), either as single molecules or adsorbed on surfaces, where …

On the practical truncation tier of fermionic hierarchical equations of motion

X Ding, D Zhang, L Ye, X Zheng, YJ Yan - The Journal of Chemical …, 2022 - pubs.aip.org
The fermionic hierarchical equations of motion (HEOM) approach has found wide
application in the exploration of open quantum systems, and extensive efforts have been …

Unveiling the decisive factor for the sharp transition in the scanning tunneling spectroscopy of a single nickelocene molecule

L Zuo, Q Zhuang, L Ye, YJ Yan… - The Journal of Physical …, 2022 - ACS Publications
Scanning tunneling microscopy (STM) has been utilized to realize the precise measurement
and control of local spin states. Experiments have demonstrated that when a nickelocene …

Molecular molds for regularizing Kondo states at atom/metal interfaces

X Li, L Zhu, B Li, J Li, P Gao, L Yang, A Zhao… - Nature …, 2020 - nature.com
Adsorption of magnetic transition metal atoms on a metal surface leads to the formation of
Kondo states at the atom/metal interfaces. However, the significant influence of surrounding …

Origin of asymmetric splitting of Kondo peak in spin-polarized scanning tunneling spectroscopy: Insights from first-principles-based simulations

Q Zhuang, X Wang, L Ye, YJ Yan… - The Journal of Physical …, 2022 - ACS Publications
The spin-polarized scanning tunneling microscope (SP-STM) has served as a versatile tool
for probing and manipulating the spintronic properties of atomic and molecular devices with …