北京科技大学主页平台管理系统刘俊孜--中文主页--论文成果

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个人信息

刘俊孜Liujunzi

副教授

硕士生导师

学科：物理化学

所在单位：化学与生物工程学院

电子邮箱：

同专业硕导

论文成果

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Unitary coupled-cluster based self-consistent polarization propagator theory: a quadratic unitary coupled-cluster singles and doubles scheme.
Relativistic coupled-cluster and equation-of-motion coupled-cluster methods.
Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties.
Benchmark calculations of K-edge ionization energies for first-row elements using scalar-relativistic core–valence-separated equation-of-motion coupled-cluster methods.
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications.
An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling.
Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals.
Evaluating electronic couplings for excited state charge transfer based on maximum occupation method ΔSCF quasi-adiabatic states.
Photoexcitation of light-harvesting C–P–C60 triads: A FLMO-TD-DFT study.

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