5 citations · 6 across the 7 of their papers we have counts for
7 papers
Beyond the Four-Decade DIIS Default:Auxiliary-Curvature Acceleration of Self-Consistent-Field Calculations
Peng Bao, Qiang Shi
Direct inversion in the iterative subspace (DIIS), introduced in 1980, remains the practical default for accelerating Hartree-Fock and Kohn-Sham self-consistent-field (SCF) calcula…
Simulation of one and two qubit superconducting quantum gates under the non-Markovian noise
Yinjia Chen, Shuocang Zhang, Qiang Shi
Non-Markovian noise consists a dominant source of decoherence in superconducting qubits, yet its slow nature poses a significant challenge for accurate simulation. Here we de…
Nonadiabatic H-Atom Scattering Channels on Ge(111) Elucidated by the Hierarchical Equations of Motion
Xiaohan Dan, Zhuoran Long, Tianyin Qiu +3
Atomic and molecular scattering at semiconductor interfaces plays a central role in surface chemistry and catalysis, yet predictive simulations remain challenging due to strong non…
A theoretical model for linear and nonlinear spectroscopy of plexcitons
Chenghong Huang, Shuming Bai, Qiang Shi
We present a theoretical model to investigate the dynamics and spectroscopic properties of a plexciton system consisting of a molecular exciton coupled to a single short-lived plas…
Time evolving matrix product operator (TEMPO) method in a non-diagonal basis set based on derivative of the path integral expression
Shuocang Zhang, Qiang Shi
The time-evolving matrix product operator (TEMPO) method is a powerful tool for simulating open system quantum dynamics. Typically, it is used in problems with diagonal system-bath…
Ultrafast Excited-State Energy Transfer in Phenylene Ethynylene Dendrimer: Quantum Dynamics with Tensor Network Method
Sisi Liu, Jiawei Peng, Peng Bao +2
Photo-induced excited-state energy transfer (EET) processes play an important role in the solar energy conversions. The phenylene ethynylene (PE) dendrimers display great potential…
Is there a finite mobility for the one vibrational mode Holstein model? Implications from real time simulations
Tianchu Li, Yaming Yan, Qiang shi
The question of whether there exists a finite mobility in the standard Holstein model with one vibrational mode on each site remains unclear. In this letter, we approach this probl…