联系方式

邮箱：wangf@scu.edu.cn, wangf44@gmail.com

地址：四川大学望江校区西五教623

个人简历

王繁，教授，博士生导师。1996年本科毕业于中国科技大学，2001年毕业于北京大学物理化学，获理学博士学位，师从黎乐民院士。2001年-2008年先后在北京大学，加拿大卡尔加里大学，香港大学做博士后以及德国美因茨大学任洪堡学者，2008年起任四川大学教授。主要从事电子结构理论的计算方法和计算程序的开发，以及燃烧机理构建和简化，是量子化学软件ADF和CFOUR程序的作者之一。近年来主持了四项国家自然科学基金委面上项目、一项国家重大科技专项项目。在SCI 刊物上发表论文70余篇，第一作者和联系人作者文章被引用超过700余次。

研究方向

1. 相对论电子结构理论

2. 量子蒙特卡洛方法

3. 燃烧机理的构建和简化

科研项目

1、国家自然科学基金面上项目：“含旋轨耦合的Fock空间耦合簇理论计算激发能、双电离能和双电子亲和能”，2018-2021, 主持

2、国家自然科学基金面上项目：“含旋轨耦合的双电离和双电子亲和运动方程耦合簇方法”，2015-2018， 主持

3、国家自然科学基金面上项目：“运动方程耦合簇方法计算含旋轨耦合激发态解析能量梯度”，2013-2016，主持

4、国家中长期发展规划重大科技专项“****科技工程”， 2011/01-2015/12，主持

5、国家自然科学基金面上项目：“电子顺磁共振g张量的高精度计算方法研究”，2009-2011，主持

代表性论文

1. Minggang Guo, Zhanli Cao, Zhifan Wang, and Fan Wang*

Properties of closed-shell superheavy element hydrides and halides using coupled-cluster method and density functional theory with spin-orbit coupling

The Journal of Chemical Physics 2018, 148, 044304

2. Lan Cheng*, Fan Wang*, John F. Stanton*, and Jürgen Gauss*

Perturbative treatment of spin-orbit-coupling within spin-free exact two-component theory using equation-of-motion coupled-cluster methods

The Journal of Chemical Physics 2018, 148, 044108

3. Xiaojun Zhou and Fan Wang*

Barrier Heights of Hydrogen-Transfer Reactions with Diffusion Quantum Monte Carlo Method

Journal of Computational Chemistry 2017, 38, 798–806

4. Zhanli Cao, Zhendong Li,* Fan Wang,* and Wenjian Liu*

Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin–orbit splittings of light and heavy elements

Physical Chemistry Chemical Physics, 2017, 19, 3713–3721

5. Zhanli Cao, Fan Wang,* and Mingli Yang

Coupled-cluster method for open-shell heavy-element systems with spin-orbit coupling

Journal of Chemical Physics, 2017, 146, 134108

6. Shuo Zhang and Fan Wang*

Excitation Energies of UO22+,NUO+ and NUN Based on Equation-of-Motion Coupled-Cluster Theory with Spin−Orbit Coupling

Journal of Physical Chemistry A 2017, 121, 3966–3975

7. Zhanli Cao, Fan Wang,* and Mingli Yang

Spin-orbit coupling with approximate equation-of-motion coupled-cluster method for ionization potential and electron attachment

Journal of Chemical Physics, 2016, 145, 154110

8. Dong-Dong Gao, Zhanli Cao, and Fan Wang*

Spin−Orbit Effects in Closed-Shell Heavy and Superheavy Element Monohydrides and Monofluorides with Coupled-Cluster Theory

Journal of Physical Chemistry A 2016, 120, 1231–1242

9. Rui Li, Shuhao Li, Fan Wang,* and Xiangyuan Li

Sensitivity analysis based on intersection approach for mechanism reduction of cyclohexane

Combustion and Flame 2016, 166, 55–65

10. Shu-Hao Li, Jun-Jiang Guo, Rui Li, Fan Wang,* and Xiang-Yuan Li*

Theoretical Prediction of Rate Constants for Hydrogen Abstraction by OH, H, O, CH3, and HO2 Radicals from Toluene

Journal of Physical Chemistry A 2016, 120, 3424–3432

11. Zhifan Wang, Shu Hu, Fan Wang,* and Jingwei Guo

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

Journal of Chemical Physics, 2015, 142, 144109

12. Zhifan Wang, Zheyan Tu, and Fan Wang*

Equation-of-Motion Coupled-Cluster Theory for Excitation Energies of Closed-Shell Systems with Spin−Orbit Coupling

Journal of Chemical Theory and Computation, 2014, 10, 5567-5576

13. Ai-Ke Liu, Yi Jiao, Shuhao Li, Fan Wang,* and Xiang-Yuan Li*

Flux Projection Tree Method for Mechanism Reduction

Energy & Fuel, 2014,28,5426-5433