A5080593500- Advanced Chemical Physics Studies
- Spectroscopy and Quantum Chemical Studies
- Theoretical and Computational Physics
- Viral Infections and Vectors
- Quantum, superfluid, helium dynamics
- Cardiac Arrhythmias and Treatments
- COVID-19 epidemiological studies
- Atmospheric Ozone and Climate
- Virology and Viral Diseases
- Photochemistry and Electron Transfer Studies
- Advanced Thermodynamics and Statistical Mechanics
- nanoparticles nucleation surface interactions
- Atrial Fibrillation Management and Outcomes
- Quantum Mechanics and Non-Hermitian Physics
- Venous Thromboembolism Diagnosis and Management
- Electron Spin Resonance Studies
- Matrix Theory and Algorithms
University of Waterloo
2021-2025
Shanghai University
2021
Beijing Institute of Technology
2018
This paper reviews and explores thermal cluster cumulant approaches for finite temperature electronic structure problems. We examine connections between various formulations discuss the zero-temperature limit as well N-representability problem. Attempts to resolve issue are made through application of positivity constraints. Insights gained from numerical tests conducted on model magnetic systems ab initio molecular systems. For many representative current approach fails deliver accurate...
A time-dependent vibrational electronic coupled-cluster (VECC) approach is proposed to simulate photo-electron/UV-VIS absorption spectra as well properties for non-adiabatic vibronic models, going beyond the Born-Oppenheimer approximation. detailed derivation of equations motion and a motivation ansatz are presented. The VECC method employs second-quantized bosonic construction operators mixed linear exponential form compact representation wave-function. Importantly, does not require basis...
A vibrational electronic-thermofield coupled cluster (VE-TFCC) approach is developed to calculate thermal properties of non-adiabatic vibronic coupling systems. The thermofield (TF) theory and a mixed linear exponential ansatz based on second-quantized Bosonic construction operators are introduced propagate the density operator as "pure state" in Bogoliubov representation. Through this compact representation operator, basis-set-free scales classically (polynomial) number degrees freedoms...
Peste des petits ruminants (PPR) is a highly infectious disease that mainly infects small ruminants. To date, PPR has been confirmed in more than 70 countries. In China, occurred 20 provinces and cities. this study, based on geographic information system (GIS), spatial analysis was used to examine the occurrence of China from 2007 2018. The results showed first Tibet gradually spread other provinces. outbreaks were concentrated 2014, 2015 Combining climate factors with maximum entropy...
After covalent conjugation with catechol, heparin and paclitaxel can be chemically coated on a Ti–Ni alloy to endow anti-thrombosis anti-intimal hyperplasia properties, respectively.
A normal ordered exponential parametrisation is used to obtain equations for thermal one-and two-particle reduced density matrices, as well free energies, partition functions and entropy both Fermionic (electronic) Bosonic (vibrational) Hamiltonians. first principles derivation of the equations, relying only on a simple Wick's theorem starting from differential equation dD^dβ=−(H^−μN^)D^, presented that yields amplitudes representing cumulants, grand potential. In contrast other approaches...
A time-dependent vibrational electronic coupled-cluster (VECC) approach is proposed to simulate photoelectron/ UV-VIS absorption spectra, as well properties for non-adiabatic vibronic models, going beyond the Born-Oppenheimer approximation. detailed derivation of equations motion and a motivation ansatz are presented. The VECC method employs second-quantized bosonic construction operators mixed linear exponential form compact representation wave-function. Importantly, does not require basis...