标题：邝小渝
主要成就
1. 建立了复杂电子组态离子体系的理论计算方法与程序，解决了 1962 年由 W. Low 等人提出的电子顺磁共振理论困难。获 1987 年度中国化学会青年化学奖和 1991 至 1994 年度法 国政府 博士奖学金。
2. 提出了关于 Fe(III)/Fe(II) 在络合分子中的高<-->低自旋转换理论。 
3. 提出了关于过渡金属离子自旋团簇在络合分子中的磁性理论计算方法，提出了关于同核与异核过渡金属离子团簇的共价分子磁性理论，并应用于多种生物大分子催化活性中心的反铁磁性研究，如核糖核酸还原酶、细胞色素氧化酶、蚯蚓血红蛋白酶等强共价分子体系。
科研项目
1. 国家自然科学基金 研究期间：2010.1-2012.12 “稀土掺杂络合物局域各向异性电磁结构理论研究”
2. 国家自然科学基金 研究期间：2008.1-2010.12 ”单分子磁体电磁结构与磁量子隧穿现象理论研究”
3. 国家自然科学基金 研究期间：2004.1-2006.12 “分子合金磁滞自旋转换理论研究” 
4. 国家教育部博士点基金：研究期间：2006.1-2008.12 “超氧化物歧化酶催化活性中心电磁结构理论研究” 
5. 国家教育部优秀青年教师资助项目 研究期间：2002.1-2004.12 “细胞色素氧化酶催化活性中心异核团簇磁现象研究” 
6. 国家自然科学基金 研究期间：2001.1-2003.12 “核糖核酸还原酶催化活性中心磁现象研究” 
7. 国家自然科学基金 研究期间：1998.1-2000.12 “生物蛋白体中过渡金属自旋团簇磁现象研究” 
8. 国家自然科学基金 研究期间：1997.1-1999.12 “Fe(III)分子络合团簇中的自旋转换态理论” 
9. 国家教委留学回国人员科研启动基金 研究期间：1996.1-1998.12 “铁蛋白活性中心的电磁结构与功能的关系”
代表性科研成果
Phys.Rev.B 36 (1987) 712; 
Phys.Rev.B 36 (1987) 797; 
Phys.Rev.B 37 (1988) 9719; 
Phys.Rev.B 45 (1992) 8014;
Phys.Rev.B 47 (1993) 5455;
Phys.Rev.B 48 (1993) 6676; 
Phys.Rev.B 72 (2005) 073101;
Phys.Rev.A71 (2005) 064102; 
J.Phys.Chem. A109 (2005) 10129; 
J.Phys.Chem.A104 (2000)7308; 
Chem.Phys.Lett.358 (2002) 207; 
Chem.Phys.Lett.365 (2002) 122; 
Phys.Lett.A 213 (1996) 89; 
Phys.Lett.A 262 (1999) 289;
Phys.Lett.A 285 (2001) 177; 
Phys.Lett.A 293 (2002) 293; 
Phys.Lett.A 299 (2002) 407;
邝小渝课题组简介
课题组名称凝聚态物质的原子与分子物理基础研究室简介凝聚态物质的原子分子物理基础研究是四川大学原子与分子物理国家重点学科的主要研究方向之一。由中国物理学会原子与分子物理专业委员会委员、博士生导师邝小渝教授负责，成员包括毛爱杰助理研究员等。承担过6项国家自然科学基金项目和3项教育部基金项目。已毕业和在读研究生55人，有20位研究生在校期间获得了学校的奖励，包括宝钢奖3次，云天化奖2次。主要研究方向1）凝聚态中的原子分子物理问题。
2）过渡金属和稀土金属络合材料的微结构与光谱学。
3）团簇分子结构与物性。课题组发表论文情况在国际SCI刊物上发表论文100余篇，其中有50余篇重要的文章发表在影响因子大于2的国际著名刊物上。包括Phys.Rev. 9篇、Phys.Chem.Chem.Phys.2篇、J. Phys.Chem. 14篇、Chem.Phys. Lett.25篇。2005~2010年课题组部分科研成果1. Die Dong, Kuang Xiao-Yu, Guo Jian-Jun,Wang Hui, Zhou Kang-Wei
Optical absorption and EPR study of the octahedral Fe3+ center in yttrium aluminum garnet
Physical Review B 2005, 72, 073101-073104.
2. Zhu Qin-Sheng, Kuang Xiao-Yu, Tan Xiao-Ming
Algebraic dynamics study for homotrinuclear linear spin cluster in a rotating magnetic field
Physical Review A 2005, 71, 064102-064106
3. Wang Huai-Qian, Kuang Xiao-Yu, Li Hui-Fang 
Density functional study of structural and electronic properties of bimetallic copper–gold  clusters:comparison with pure and doped gold clusters
Physical Chemistry Chemical Physics 2010, 12, 5156-5165.
4. Lu Cheng, Kuang Xiao-Yu, Zhu Qin-Sheng
Characterization of the High-Pressure Structural Transition and Thermodynamic Properties in Sodium Chloride: A Computational Investigation on the Basis of the Density Functional Theory
Journal of Physical Chemitry B 2008,112,13898-13905.
5. Kuang Xiao-Yu, Zhou Kang-Wei
Quantum-Admixture Model of High-Spin ↔ Low-Spin Transition for Ferrous Complex Molecules
Journal of Physical Chemitry A 2005, 109, 10129-10137.
6. Kuang Xiao-Yu, Lu Cheng
Characterization of Electronic Transition Energies and Trigonal Distortion of the (FeO6)9- Coordination Complex in the Al2O3:Fe3+ System: A Simple Method for Transition-Metal Ions in a Trigonal Ligand Field
Journal of Physical Chemitry A 2006, 110, 11353-11358.
7. Mao Ai-Jie, Kuang Xiao-Yu, Hui Wang, Lu Cheng 
EPR Theoretical Study of Local Molecular Structure and Thermal Expansion Coefficient for Octahedral Mn2+ Centers in Zinc Fluosilicate
Journal of Physical Chemitry A 2006, 110,5869-5873.
8. Lu Cheng, Kuang Xiao-Yu, Tan Xiao-Ming, Yang Xiong
Theoretical Investigation of Electron Paramagnetic Resonance Spectra and Local Structure Distortion for Mn2+ Ions in CaCO3:Mn2+ System: A Simple Model for Mn2+ Ions in a Trigonal Ligand Field
Journal of Physical Chemitry A 2007,111, 2783-2789.
9. Lu Cheng, Kuang Xiao-Yu, Zhou Kang-Wei
A ULFC Method for d4(D2d) Ions and a Study of the Spin Singlets Contributions to Zero-Field Splitting of Cr2+ Ions in Zinc Sulfide Crystals
Journal of Physical Chemitry A 2007,111,11110-11115.
10. Mao Ai-Jie, Kuang Xiao-Yu 
Tetragonal Distortion of Structural Defects in Cr3+ Doped in Several Perovskites Calculated from the EPR and Optical Data: A Complete Energy Matrix Study
Journal of Physical Chemitry A 2008, 112, 7280-7285.
11. Kuang Xiao-Yu, Mao Ai-Jie, Wang Hui
Local Lattice Structure Study of the Octahedral (CrO6)9- Clusters for Cr3+ Ion Doping in a Variety of Oxide Crystals by Simulating the Corresponding EPR and Optical Spectra
Journal of Physical Chemitry A 2008, 112, 737-743.
12. Wang Huai-Qian, Kuang Xiao-Yu, Li Hui-Fang 
Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: AunZn− (2 ≤ n≤ 10)
Journal of Physical Chemitry A 2009, 113, 14022-14028.
13. Li Yan-Fang, Kuang Xiao-Yu, Wang Su-Juan, Zhao Ya-Ru 
Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study
Journal of Physical Chemitry A 2010, 114, 11691-11698
14. Kuang Xiao-Yu, Tan Xiao-Ming, Zhou Kang-Wei
EPR theoretical investigation of substitution site and local lattice structure of tetragonal Cr2+ in cadmium thiogallate 
Chemical Physics Letters 2006, 432 218-221
15. Dong Die, Kuang Xiao-Yu,Wang Hui, Guo Jian-Jun, Zhou Kang-Wei 
Study of EPR spectra for octahedral Fe3+ center in lutetium aluminum garnet 
Chemical Physics Letters 2006, 418, 71-74.
16. Dong Die, Kuang Xiao-Yu, Guo Jian-Jun, Hui Wang, Zhou Kang-Wei 
EPR zero-field splitting parameters and structural distortion study of Mn2+-doped (CH3)4NCdCl3 crystal in high-temperature phases 
Chemical Physics Letters 2006, 426, 77-80.
17. Fu Cheng-Guo, Kuang Xiao-Yu, Wang Hui, Yang Xiong, Tan Xiao-Ming 
EPR theoretical study of local lattice structure on Mn2+ ion doped in calcite and differences between single crystal and fresh water snail, Pila globosa 
Chemical Physics Letters 2006, 423, 297-301.
18. Li Ju-Fen, Kuang Xiao-Yu, Mao Ai-Jie, Tan Xiao-Ming 
EPR theoretical study of local molecular structure for tetrahedral Fe3+ centers in zinc oxide 
Chemical Physics Letters 2006,429,266-270.
19. Yang Xiong, Kuang Xiao-Yu
EPR theoretical study of hydrostatic pressure and temperature dependence of local lattice structure for [Mn(H2O)6]2+ octahedral complex in the Zn(BF4)2 · 6H2O:Mn2+ system 
Chemical Physics Letters 2007, 444, 101-106
20. Li Jin-Hong, Kuang Xiao-Yu, Duan Mei-Ling, Jiao Zhao-Yong
Theoretical study of local lattice structure of Fe3+–VM system in iron-doped AMF3 crystals 
Chemical Physics Letters 2007, 436, 133-138.
21. Wang Hui, Kuang Xiao-Yu, Mao Ai-Jie, Yang Xiong 
Effect on the EPR and site symmetry of Cr3+ ions doping spinel crystals: A complete energy matrices study 
Chemical Physics Letters 2007, 436, 194-198.
22. Huang Jin-Ling, Kuang Xiao-Yu, Mao Ai-Jie, Wang Hui 
Local structure and EPR studies of octahedral (MnO6)2+ cluster in the series of zinc fluoride hexahydrate 
Chemical Physics Letters 2007, 442, 460-463.
23. Cai-Xia Zhang, Xiao-Yu Kuang, Guang-Dong Li, Hui Wang
Theoretical study on local lattice structure distortion for octahedral Fe3+ center in several germanate garnets 
Chemical Physics Letters 2007, 441, 143-147.
24. Zhao-Yong Jiao, Xiao-Yu Kuang, Shu-Hong Ma, Jin-Hong Li, Mei-Ling Duan
An investigation of the EPR zero-field splitting of Fe3+ ions at tetragonal sites in Tl2MgF4 and Tl2ZnF4 crystals  
Chemical Physics Letters 2007,483,254-258.
25. Lei-Lei Pan, Xiao-Yu Kuang, Ai-Jie Mao, Hui Wang, Jin-Ling Huang
Studies of EPR theory and trigonal distortion of the [Cr(H2O)6]3+ cluster in ferroelectric guanidinium aluminum sulfate hexahydrate (GASH): Cr3+ system at different temperatures 
Chemical Physics Letters 2007, 442,468-473.
26. Hui-Fang Li, Xiao-Yu Kuang, Huai-Qian Wang
Local structural properties of (NiF6)4− clusters in perovskite fluorides RbMF3 (M = Cd2+, Ca2+, Mg2+) series: EPR and optical spectra study in tetragonal and trigonal ligand field 
Chemical Physics Letters 2008, 462, 133-137.
27. Huai-Qian Wang, Xiao-Yu Kuang, Hui-Fang Li
Studies of EPR theory and trigonal distortion of the (NiX6)4− clusters (X = halide ion) in the series of perovskite crystals AMX3 (A = Rb, Cs; M = Cd, Mg; X = halide ion)  
Chemical Physics Letters 2008,460,365-369.
28. Li Ying, Kuang Xiao-Yu, Li Hui-Li, Mao Ai-Jie, Tang Li-Juan
Investigation of the EPR and local defect structures for (FeO6)9− and (MnO6)10− clusters in TiO2 crystal at different temperature 
Chemical Physics Letters 2008,461,160-163.
29. Huang Jin-Ling, Kuang Xiao-Yu, Li Ying
Investigation of optical spectra and local structure for (CrF6)3− cluster in Cs2NaAlF6:Cr3+ and Cs2NaGa F6:Cr3+ systems 
Chemical Physics Letters 2008, 458, 227-230.
30. Ai-Ping Zhai, Xiao-Yu Kuang, Mei-Ling Duan, Cai-Xia Zhang, Rui-Peng Chai
Effect of temperature on the local angular thermal expansion and local structure for nickel-doped zinc fluosilicate 
Chemical Physics Letters 2008, 467, 170-175.
31. Wen-Yan Tian, Xiao-Yu Kuang, Hui-Fang Li, Yan-Fang Li, Ying-Li
EPR investigation of local structure for [Mn(H2O)6]2+ cluster in [M(H2O)6]XCl6:Mn2+ (M = Zn, Mg, Cd, Ca; X = Pt, Sn) systems at different temperatures  
Chemical Physics Letters 2009, 468, 325-329.
32. Li Ying, Kuang Xiao-Yu, Mao Ai-jie, Li Hui-li, Chai Rui-peng 
EPR studies for [Mn(H2O)6]2+ complex in MSnF6·6H2O:Mn2+ (M = Zn, Co) and Cd(BF4)2·6H2O:Mn2+ systems at different temperature  
Chemical Physics Letters 2010,487, 307-311.
33. Cheng-Gang Li, Xiao-Yu Kuang, Rui-Peng Chai, Ya-Ru Zhao
Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals 
Chemical Physics Letters 2010, 498,353-358.
34. Hui-Li Li, Xiao-Yu Kuang, Ai-Jie Mao, Ying Li, Su-Juan Wang
Study of local structures and optical spectra for octahedral Fe3+ centers in a series of garnet crystals A3B2C3O12 (A = Cd, Ca; B = Al, Ga, Sc, In; C = Ge, Si) 
Chemical Physics Letters 2010, 484, 387-391.
35. Xiao-Ming Tan, Xiao-Yu Kuang, Kang-Wei Zhou, Cheng Lu, Qin-Sheng Zhu
Spin-singlet contributions to zero-field splitting of a 3d4 ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2
Journal of Physics: Condensed Matter 2006, 18 1705-1713.
毕业生就业情况程继文  中国科学院物理所（北京）    
鲁  伟  中国科学院上海光机所（上海） 
朱钦圣  电子科技大学（成都）       
毛爱杰  四川大学（成都）
王  辉  西南交通大学（成都）
王怀谦  华侨大学 （厦门）       
杨  雄  中国民航大学（天津）
焦照勇  河南师范大学（新乡）      
李菊芬  西南石油大学（成都） 
柴瑞鹏  西安建筑科技大学 （西安） 
谭晓明  鲁东大学（烟台）          
黄肖芬  四川师范大学（成都）      
迭  东  西华大学（成都）           
李  迎  东华理工大学（南昌）
段美玲 中北大学（太原）
王淑娟  四川理工学院 （自贡）  
卢  成  南阳师院 （南阳）
付成果  铜仁职业技术学院（铜仁）    
李广东  总装备部研究所（洛阳）
张仕勋  中国广东核电集团（深圳）
杨桃芬  江苏阿斯特太阳能电力公司（苏州）
张彩霞  中科院宁波材料技术与工程研究所(宁波)
业余爱好
羽毛球运动，曾获得全民健身与奥运同行2007年全国东西南北中羽毛球大赛男子单打D组冠军（2007年10月，成都）。