李晨阳 - 北京师范大学

个人简介

2021－至今：北京师范大学化学学院 2015－2020：美国埃默里大学，博士后（导师：Francesco A. Evangelista教授） 2012－2015：美国佐治亚大学，理学博士（导师：Henry F. Schaefer教授） 2008－2012：南京大学，理学学士

研究领域

高精度电子结构方法的开发与应用（多参考态方法，程序开发）

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Leveraging Small-Scale Quantum Computers with Unitarily Downfolded Hamiltonians Assessment of State-Averaged Driven Similarity Renormalization Group on Vertical Excitation Energies: Optimal Flow Parameters and Applications to Nucleobases Leveraging small scale quantum computers with unitarily downfolded Hamiltonians Second-Order Active-Space Embedding Theory Theoretical Calculation of Core-Excited States along Dissociative Pathways beyond Second-Order Perturbation Theory Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics Spin-free implementation of the multireference driven similarity renormalization group: A benchmark study of open-shell diatomic molecules and spin-crossover energetics Tuning QD/mediator Interface for Optimal Efficiency of Quantum Dot Sensitized Near Infrared to Visible Photon Upconversion Systems Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations Analytic gradients for the single-reference driven similarity renormalization group second-order perturbation theory Improving the Efficiency of the Multireference Driven Similarity Renormalization Group via Sequential Transformation, Density Fitting, and the Noninteracting Virtual Orbital Approximation Multireference Theories of Electron Correlation Based on the Driven Similarity Renormalization Group Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the non-interacting virtual orbital approximation A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure and Excited State Dynamics Driven similarity renormalization group for excited states: A state-averaged perturbation theory Erratum: “Driven similarity renormalization group: Third-order multireference perturbation theory” [J. Chem. Phys. 146, 124132 (2017)] Erratum: “Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators” [J. Chem. Phys. 144, 164114 (2016)] A low-cost approach to electronic excitation energies based on the driven similarity renormalization group Driven similarity renormalization group: Third-order multireference perturbation theory Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis The Intricate Internal Rotation Surface and Fundamental Infrared Transitions of n-Propyl Radical. The Remarkable [ReH9](2-) Dianion: Molecular Structure and Vibrational Frequencies