马玉臣 - 山东大学 - 化学与化工学院

研究领域

利用多体格林函数理论（在物理学界通常称作多体微扰理论，主要包括GW方法和 Bethe-Salpeter方程）研究晶体、团簇、分子等的准粒子能级、光学特性和激发态动力学。包括计算方法和计算程序的开发与应用。 [ GW方法和Bethe-Salpeter方程能够以非常高的精度计算准粒子（电子、空穴）和激子的性质。] 本人目前的研究重点：（1）复杂体系多体格林函数理论计算方法和程序的开发；（2）激发态作用力和激发态动力学计算方法和程序的开发；（3）几种典型体系光化学、光物理动力学过程的研究。

近期论文

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Charge-transfer excited states in aqueous DNA: Insights from many-body Green function theory H. B. Yin, Y. C. Ma, J. L. Mu, C. B. Liu and M. Rohlfing Phys. Rev. Lett. 112, 228301 (2014) Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory H. B. Yin, Y. C. Ma, X. T. Hao, J. L. Mu, C. B. Liu and Z. J. Yi J. Chem. Phys. 140, 214315 (2014) Photoluminescence of single-walled carbon nanotubes: The role of Stokes shift and impurity levels J. L. Mu, Y. C. Ma, H. B. Yin, C. B. Liu and M. Rohlfing Phys. Rev. Lett. 111, 137401 (2013) 研究激发态的多体格林函数理论马玉臣，刘成卜化学进展 24, 981 (2012)（综述, 量子化学专辑） Excited states of dicyanovinyl-substituted oligothiophenes from many-body Green functions theory B. Baumeier, D. Andrienko, Y. C. Ma and M. Rohlfing J. Chem. Theory Comput. 8, 997 (2012) Silicon Donors at the GaAs(110) surface: A first principles study Z. Yi, Y. C. Ma and M. Rohlfing J. Phys. Chem. C 115, 23455 (2011) Excited states of the negatively charged nitrogen-vacancy color center in diamond Y. C. Ma, M. Rohlfing and A. Gali Phys. Rev. B 81, 041204 (Rapid Communication) (2010) Modeling the excited states of biological chromophores within many-body Green function Theory Y. C. Ma, M. Rohlfing and C. Molteni J. Chem. Theory Comput. 6, 257 (2010) Quasiparticle band structures and lifetimes in noble metals using Gaussian orbital basis sets Z. J. Yi, Y. C. Ma, M. Rohlfing, V. M. Silkin and E. V. Chulkov Phys. Rev. B 81, 125125 (2010) Diabatic states of a photoexcited retinal chromophore from ab initio many-body perturbation theory M. S. Kaczmarski, Y. C. Ma and M. Rohlfing Phys. Rev. B 81, 115433 (2010) Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening Y. C. Ma, M. Rohlfing and C. Molteni Phys. Rev. B 80, 241405 (Rapid Communication) (2009) Optical excitation of deep defect levels in insulators within many-body perturbation theory: The F center in calcium fluoride Y. C. Ma and M. Rohlfing Phys. Rev. B 77, 115118 (2008) Simulation of interstitial diffusion in graphite Y. C. Ma Phys. Rev. B 76, 075419 (2007) Quasiparticle band structure and optical spectrum of CaF2 Y. C. Ma and M. Rohlfing Phys. Rev. B 75, 205114 (2007) Defect-induced spin deterioration of La0.64Sr0.36MnO3: Ab initio study K. P. Wang, Y. C. Ma and K. Betzler Phys. Rev. B 76, 144431 (2007) Reactions and clustering of water with silica surface Y. C. Ma, A. S. Foster and R.M. Nieminen J. Chem. Phys. 122, 144709 (2005) Hydrogen-induced magnetism in carbon nanotubes Y. C. Ma, P. O. Lehtinen, A. S. Foster and R. M. Nieminen Phys. Rev. B 72, 085451 (2005) Nitrogen in graphite and carbon nanotubes: Magnetism and mobility Y. C. Ma, A. S. Foster, A. V. Krasheninnikov and R. M. Nieminen Phys. Rev. B 72, 205416 (2005). B and N ion implantation into carbon nanotubes: Insight from atomistic simulations J. Kotakoski, A. V. Krasheninnikov, Y. C. Ma, A. S. Foster, K. Nordlund and R. M. Nieminen Phys. Rev. B 71, 205408 (2005) Magnetic properties of vacancies in graphene and single-walled carbon nanotubes Y. C. Ma, P. O. Lehtinen, A. S. Foster and R. M. Nieminen New J. Phys. 6, 68 (2004). Irradiation-induced magnetism in graphite: A density functional study P. O. Lehtinen, A. S. Foster, Y. C. Ma, A. V. Krasheninnikov, and R. M. Nieminen Phys. Rev. Lett. 93, 187202 (2004). Condensation and phase transition of hydrogen molecules confined in single-walled carbon nanotubes Y. Y. Xia, M. W. Zhao, Y. C. Ma, X. D. Liu, M. J. Ying and L. M. Mei Phys. Rev. B 67, 115117 (2003). Hydrogen storage capacity in single-walled carbon nanotubes Y. C. Ma, Y. Y. Xia, M. W. Zhao, M. J. Ying Phys. Rev. B 65, 155430 (2002). Tensile strength of single-walled carbon nanotubes with defects under hydrostatic pressure Y. Y. Xia, M. W. Zhao, Y. C. Ma, M. J. Ying, X. D. Liu, P. J. Liu and L. M. Mei Phys. Rev. B 65, 155415 (2002). Exohedral and endohedral adsorption of nitrogen on the sidewall of single-walled carbon nanotubes M. W. Zhao, Y. Y. Xia, Y. C. Ma, M. J. Ying, X. D. Liu and L. M. Mei Phys. Rev B 66, 155403 (2002). Collision of Hydrogen Atom With Single-walled Carbon Nanotube: Adsorption, Insertion, and Healing Y. C. Ma, Y. Y. Xia, M. W. Zhao, M. J. Ying, X. D. Liu and P. J. Liu J. Chem. Phys. 115, 8152 (2001). Effective Hydrogen-storage in Single-wall Carbon Nanotube Y. C. Ma, Y. Y. Xia, M. W. Zhao, R. J. Wang and L. M. Mei Phys. Rev. B 63, 115422 (2001). Growth and defects formation of single-walled carbon nanotubes Y. Y. Xia, Y. C. Ma, Y. L. Xing, Y. G. Mu, C. Y. Tan and L. M. Mei Phys. Rev. B 61, 11088 (2000)."