Chinese Version               ResearcherID


Prof. Dr. Ruixue XU

Department of Chemical Physics
University of Science and Technology of China
Hefei, Anhui 230026, China
Email: rxxu@ustc.edu.cn

Research Interests

 

Theoretical chemical physics: dynamics of complex molecular systems; fundamental theory and numerical methods for dynamics of complex systems; quantum statistics, quantum control, electron transfer and energy transfer processes, chemical reactions and nonlinear spectroscopy in condensed phases.

Publications

1.

"Selective bond breaking in a polyatomic molecule",

J. X. Cheng, R. X. Xu, Q. Shi, H. Lin, and Q. S. Zhu,

Chin. J. Chem. Phys. 11, 530-4 (1998).

2.

"A simple theory of optimal coherent control",

R. X. Xu, J. X. Cheng, and Y. J. Yan,

J. Phys. Chem. A 103, 10611-8 (1999).

3.

"Unified approach to the Bloch-Redfield theory and quantum Fokker-Planck equations",

Y. J. Yan, F. Shuang, R. X. Xu, J. X. Cheng, X. Q. Li, C. Yang, and H. Y. Zhang,

J. Chem. Phys. 113, 2068-78 (2000).

4.

"Cavity quantum electrodynamics in the presence of energy relaxation and pure dephasing:

A unified quantum master equation approach",

R. X. Xu, Y. J. Yan, and X. Q. Li,

Phys. Rev. A 65, 023807 (2002).

5.

"Quantum chemical construction of a reduced reaction Hamiltonian and T1-relaxation and pure T2-dephasing rates for the proton transfer in 3-chlorotropolone",

R. X. Xu, Y. J. Yan, and O. Kühn,

Eur. Phys. J. D 19, 293-305 (2002).

6.

"Theory of open quantum systems",

R. X. Xu and Y. J. Yan,

J. Chem. Phys. 116, 9196-206 (2002).

7.

"Optimal pump-dump control and time-frequency resolved spectroscopy of ground-state wave-packet focusing",

Z. W. Shen, V. Engle, R. X. Xu, J. X. Cheng, and Y. J. Yan,

J. Chem. Phys. 117, 6142-7 (2002).

8.

"Influence of dissipation on the stimulated Raman adiabatic passage",

Y. Mo, R. X. Xu, and Y. J. Yan,

Chin. J. Chem. Phys. 15, 237-40 (2002).

9.

"A dynamic mean-field theory for dissipative interacting many-electron systems",

S. Yokojima, G. H. Chen, R. X. Xu, and Y. J. Yan,

Chem. Phys. Lett. 369, 495-503 (2003).

10.

"A dynamic mean field theory for dissipative interacting many-electron systems:

Markovian formalism and its implementation",

S. Yokojima, G. H. Chen, R. X. Xu, and Y. J. Yan,

J. Comput. Chem. 24, 2083-92 (2003).

11.

"Non-Markovian quantum dissipation in the presence of external fields",

R. X. Xu, Y. Mo, P. Cui, S. H. Lin, and Y. J. Yan,

in Progress in Theoretical Chemistry and Physics, Vol. 12: Advanced Topics in Theoretical Chemical Physics,

edited by J. Maruani, R. Lefebvre, and E. Brändas, pages 7-40, Kluwer, Dordrecht, 2003.

12.

"Optimal control of quantum non-Markovian dissipation: Reduced Liouville-space theory",

R. X. Xu, Y. J. Yan, Y. Ohtsuki, Y. Fujimura, and H. Rabitz,

J. Chem. Phys. 120, 6600-8 (2004).

13.

"Correlation and response functions with non-Markovian dissipation: A reduced Liouville-space theory",

Y. Mo, R. X. Xu, P. Cui, and Y. J. Yan,

J. Chem. Phys. 122, 084115 (2005).

14.

"Quantum mechanics of dissipative systems",

Y. J. Yan and R. X. Xu,

Annu. Rev. Phys. Chem. 56, 187-219 (2005).

15.

"Exact quantum master equation via the calculus on path integrals",

R. X. Xu, P. Cui, X. Q. Li, Y. Mo, and Y. J. Yan,

J. Chem. Phys. 122, 041103 (2005).

16.

"Kinetics and thermodynamics of electron transfer in Debye solvents:

An analytical and nonperturbative reduced density matrix theory",

P. Han, R. X. Xu, B. Q. Li, J. Xu, P. Cui, Y. Mo, and Y. J. Yan,

J. Phys. Chem. B 110, 11438-443 (2006).

17.

"Electron transfer theory revisited: Quantum solvation effect",

P. Han, R. X. Xu, P. Cui, Y. Mo, G. Z. He, and Y. J. Yan,

J. Theore. & Comput. Chem. 5, 685-92 (2006).

18.

"Electron transfer theory revisit: Motional narrowing induced non-Markovian rate processes",

Y. Chen, R. X. Xu, H. W. Ke, and Y. J. Yan,

Chin. J. Chem. Phys. 20, 438-44 (2007).

19.

"The quantum solvation, adiabatic versus nonadiabatic, and Markovian versus non-Markovian nature of

electron transfer rate processes",

R. X. Xu, Y. Chen, P. Cui, H. W. Ke, and Y. J. Yan,

J. Phys. Chem. A 111, 9618-26 (2007).

20.

"Quantum dissipation -- From path integral to hierarchical equations of motion and to continued fraction formalisms", R. X. Xu, J. Xu, P. Cui, B. Q. Li, and Y. J. Yan,

in Dynamics of Open Quantum Systems,

edited by K. H. Hughes, pages 35-44, CCP6, Daresbury, 2007.

21.

"Dynamics of quantum dissipation systems interacting with bosonic canonical bath:

Hierarchical equations of motion approach",

R. X. Xu and Y. J. Yan,

Phys. Rev. E 75, 031107 (2007).

22.

"Dynamics of quantum dissipation systems interacting with fermion and boson

grand canonical bath ensembles: Hierarchical equations of motion approach",

J. S. Jin, S. Welack, J. Y. Luo, X. Q. Li, P. Cui, R. X. Xu and Y. J. Yan,

J. Chem. Phys. 126, 134113 (2007).

23.

"Introduction to dynamics of quantum dissipative systems", R. X. Xu and Y. J. Yan,

in Theoretical Chemistry: Principles and Applications, Chapter 12, pages 551-577, in Chinese,

edited by Z. G. Shuai and J. S. Shao, Science Press, Beijing, 2008.

24.

"Purity preservation of quantum systems by resonant fields", Y. S. Lou, S. Cong, and R. X. Xu,

Proceedings of the 7th Asian Control Conference, pages 959-963, 2009.

25.

"Exact dynamics of driven Brownian oscillators",

R. X. Xu, B. L. Tian, J. Xu, and Y. J. Yan,

J. Chem. Phys. 130, 074107 (2009).

26.

"Efficient hierarchical Liouville space propagator to quantum dissipative dynamics",

Q. Shi, L. P. Chen, G. J. Nan, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 130, 084105 (2009).

27.

"Electron transfer dynamics: Zusman equation versus exact theory",

Q. Shi, L. P. Chen, G. J. Nan, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 130, 164518 (2009).

28.

"Hierarchical quantum master equation with semiclassical Drude dissipation",

R. X. Xu, B. L. Tian, J. Xu, Q. Shi, and Y. J. Yan,

J. Chem. Phys. 131, 214111 (2009).

29.

"Exact quantum dissipative dynamics under external time-dependent driving fields",

J. Xu, R. X. Xu, and Y. J. Yan,

New J. Phys. 11, 105037 (2009).

30.

"Hierarchical theory of quantum dissipation: Partial fraction decomposition scheme",

J. Xu, R. X. Xu, M. Luo, and Y. J. Yan,

Chem. Phys. 370, 109-114 (2010).

31.

"Padé spectrum decomposition of Fermi function and Bose function",

J. Hu, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 133, 101106 (2010).

32.

"Biexponential theory of Drude dissipation via hierarchical quantum master equation",

B. L. Tian, J. J. Ding, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 133, 114112 (2010).

33.

"Evaluations on some perturbative quantum dissipation approaches",

Y. Zhang, J. J. Ding, and R. X. Xu,

Chin. J. Chem. Phys. 23, 655-8 (2010).

34.

"Hierarchical dynamics of correlated system-environment coherence and optical spectroscopy",

K. B. Zhu, R. X. Xu, H. Y. Zhang, J. Hu, and Y. J. Yan,

J. Phys. Chem. B 115, 5678-84 (2011).

35.

"Padé spectrum decompositions of quantum distribution functions and

optimal hierarchical equations of motion construction for quantum open systems",

J. Hu, M. Luo, F. Jiang, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 134, 244106 (2011).

36.

"Simulation of chemical isomerization reaction dynamics on a NMR quantum simulator",

D. W. Lu, N. Y. Xu, R. X. Xu, H. W. Chen, J. B. Gong, X. H. Peng, and J. F. Du,

Phys. Rev. Lett. 107, 020501 (2011), Supplementary Information.

37.

"Advancing hierarchical equations of motion for efficient evaluation of coherent two-dimensional spectroscopy",

J. Xu, R. X. Xu, D. Abramavicius, H. D. Zhang, and Y. J. Yan,

Chin. J. Chem. Phys. 24, 497-506 (2011), http://lanl.arxiv.org/abs/1109.6168v1.

38.

"Optimized hierarchical equations of motion theory for Drude dissipation and

efficient implementation to nonlinear spectroscopies",

J. J. Ding, J. Xu, J. Hu, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 135, 164107 (2011).

39.

"Optimizing hierarchical equations of motion for quantum dissipation and

quantifying quantum bath effects on quantum transfer mechanisms",

J. J. Ding, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 136, 224103 (2012).

40.

"Hierarchical equations of motion for quantum dissipation and quantum transport",

X. Zheng, R. X. Xu, J. Xu, J. S. Jin, J. Hu, and Y. J. Yan,

Prog. Chem. 24, 1129-52 (2012).

41.

"Experimental study of quantum simulation for quantum chemistry with a nuclear magnetic resonance simulator",

D. W. Lu, N. Y. Xu, B. R. Xu, Z. K. Li, H. W. Chen, X. H. Peng, R. X. Xu, and J. F. Du,

Philos. Transact. R. Soc. A-Math. Phys. & Eng. Sci. 370, 4734-47 (2012) (DOI: 10.1098/rsta.2011.0360).

42.

"Quantum chemistry simulation on quantum computers: Theories and experiments",

D. W. Lu, B. R. Xu, N. Y. Xu, Z. K. Li, H. W. Chen, X. H. Peng, R. X. Xu, and J. F. Du,

Phys. Chem. Chem. Phys. 14, 9411-20 (2012).

43.

"Correlated driving and dissipation in two-dimensional spectroscopy",

J. Xu, H. D. Zhang, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 138, 024106 (2013).

44.

"Quantum dynamics in dissipative molecular systems",

H. D. Zhang, J. Xu, R. X. Xu, and Y. J. Yan,

in Advances in Multi-Photon Processes and Spectroscopy: Volume 21, Chapter 5, pp.177-209,

edited by S. H. Lin, A. A. Villaeys, and Y. Fujimura, published by World Scientific, 2013.

45.

"Modified Zusman equation for quantum solvation dynamics and rate processes",

H. D. Zhang, J. Xu, R. X. Xu, and Y. J. Yan,

in Reaction Rate Constant Computations: Theories and Applications,

RSC Theoretical and Computational Chemistry Series No. 6, Chapter 13, pp.319-336,

edited by Ke-Li Han and Tian-Shu Chu, published by RSC Publishing, 2013.

46.

"Non-Markovian response of ultrafast coherent electronic ring currents

in chiral aromatic molecules in a condensed phase",

H. Mineo, S. H. Lin, Y. Fujimura, J. Xu, R. X. Xu, and Y. J. Yan,

J. Chem. Phys. 139, 214306 (2013).

47.

"Nonperturbative spin–boson and spin–spin dynamics and nonlinear Fano interferences:

A unified dissipaton theory based study",

H. D. Zhang, R. X. Xu, X. Zheng, and Y. J. Yan,

J. Chem. Phys. 142, 024112 (2015).

48.

"Improving the efficiency of hierarchical equations of motion approach and application to

coherent dynamics in Aharonov–Bohm interferometers”,

D. Hou, S. K. Wang, R. L. Wang, L. Z. Ye, R. X. Xu, X. Zheng, and Y. J. Yan,

J. Chem. Phys. 142, 104112 (2015).

49.

"Dissipaton equation of motion with controlled truncation",

Y. Kong, H. D. Zhang, Y. M. Wang, R. X. Xu, and Y. J. Yan,

Chin. J. Chem. Phys. 28, 409-14 (2015).

50.

"Dissipaton equation of motion for system-and-bath interference dynamics",

R. X. Xu, H. D. Zhang, X. Zheng, and Y. J. Yan,

Sci. China Chem. 58, 1816-24 (2015).