Yan guosen, professor. People from Nanchuan District, Chongqing. Graduated from the Chemistry Department of Chongqing University in 1951. Joined China in 1956. He has served as a lecturer, associate professor, professor and president of Sichuan University. Specializing in physical chemistry and quantum chemistry. Participated in the research work of "Coordination Field Theory and Method and Molecular Orbital Graph Theory" presided by Tang Aoqing, and collectively won the first prize of the National Natural Science Award in 1982. New achievements have been made in the calculation and application of localized molecular orbits and the study of molecular vibration spectra. He has written a paper "Applying the Mobility of Localized Molecular Orbits to Macromolecule Calculation". Chinese Name: Yan Guosen Birthplace: Nanchuan District, Chongqing Date of Birth: January 6, 193 Occupation: Professor Graduate School: Resume of Chemistry Department of Chongqing University, characters experience, research direction, research achievements, work performance, achievement honor, personal resume was born in Nanchuan County, Sichuan Province (now Chongqing) on January 6, 193. From 1947 to 1951, he studied in the Chemistry Department of Chongqing University. 1951-1953 Assistant Professor, Department of Chemistry, Chongqing University. 1953-1956 Assistant Professor of Chemistry Department of Sichuan University. 1956-1962 Lecturer in Chemistry Department of Sichuan University. 1962-1979 Associate Professor of Chemistry Department of Sichuan University. 1979-present Professor, Department of Chemistry, Sichuan University. From April 1984 to March 1989, he served as president of Sichuan University. Since 1985, he has been a doctoral supervisor. From 1986 to 1994, he served as a member and executive director of the 2th and 23rd Council of chinese chemical society. Since 1992, he has served as the chairman of Sichuan Chemical and Chemical Society. Characters experience Yan Guosen was born on January 6, 193 in Nanchuan County, Sichuan Province (now Chongqing). In 1947, he was admitted to the Department of Chemistry of Chongqing University, and graduated in 1951 to stay as a teacher. In 1953, I worked in Sichuan University due to the adjustment of departments. From 1957 to 1959, Soviet expert M. H. Karabieyantz gave lectures in China and held a workshop on chemical thermodynamics in Sichuan University, in which Yan Guosen participated. At that time, the middle-aged expert was diligent in his studies and devoted himself to scientific research, which left a deep impression on Yan Guosen and had a good influence on his future study and work. Yan Guosen made a comparative calculation study of liquid viscosity under the guidance of experts, and proved the linear law of viscosity of homologues. From 1963 to 1965, Yan Guosen attended an academic seminar on material structure sponsored by Professor Tang Aoqing of Jilin University entrusted by the Ministry of Higher Education. Tang Aoqing is knowledgeable and profound, and he tries his best to learn. Most of the participants in the seminar are also academically successful. Good teachers and good friends are rare opportunities. These two years are a period when Yan Guosen's business knowledge and working ability have greatly increased. He systematically studied the specialized courses of group theory and quantum chemistry, and engaged in the collective scientific research project under the leadership of Tang Aoqing-the theoretical research of coordination field. In this research, Yan Guosen and Zhang Qianer completed the basic work: the calculation of rotation group-point group coupling coefficient and the demonstration of symmetry and orthogonality of this coefficient. In 1979, Yan Guosen also participated in the publication and finalization of the monograph Theory and Method of Coordination Fields. The theoretical research of coordination field won the first prize of National Natural Science Award in 1982. Yan Guosen was mainly engaged in the study of vibrational spectra of macromolecules in the 198s. He proposed applying the model potential function to obtain the fitting potentials of various vibrational modes of molecules, established a simple calculation method of force constant conversion, and deduced the spectral properties of macromolecules from the spectral properties of small molecules by using the mobility of force constants. Based on this, a complete analysis program of molecular vibration spectrum is developed, and satisfactory results can be obtained for infrared spectrum analysis of different types of macromolecules (including clusters, complexes, bioactive molecules, etc.). Since the 199s, Yan Guosen has systematically studied the theoretical topic of molecular vibration to high excited state, which is of great significance to laser chemistry and physics, molecular reaction dynamics, surface adsorption and catalysis, and statistical mechanics. The purpose is to analyze and predict the steady and dynamic properties of molecules through accurate calculation and reveal the nature of intramolecular and intermolecular interactions. Research direction: Physical chemistry, quantum chemistry, and molecular spectroscopy. 1. "Theoretical research on van der Waals molecular vibrational spectrum", in charge of National Natural Science Foundation (2997327), 2-22; 2. "Theoretical Study on Molecular Excited States and Corresponding Chemical Reactions", main research, National Natural Science Foundation (29892162), 1998-21. Research results With the rapid development of experimental technology, the accumulation of experimental data of vibrational excited States of molecules is increasing day by day. How to analyze, explain and predict these experimental results is one of the important topics in chemical research. The traditional regular mode theory is not suitable for solving the problem of high excited state, because the vibration to high excited state often involves large amplitude motion, and the micro-vibration approximation is not correct. Therefore, since the mid-198s, theoretical chemists have been working hard to establish new theories and methods of vibrating and rotating high excited states. Although some progress has been made, there are still some basic problems to be solved urgently, such as: ① the derivation of the unified expression of Hamiltonian operator; ② Determination of molecular potential energy surface; (3) An effective method to accurately solve the high excited state of molecular vibration. The research of Yan Guosen and others has solved these problems well in the case of triatomic molecules, which is a great advance in the study of high excited state of molecular vibration. The main achievements are as follows: 1. The unified expression of vibrational Hamiltonian of polyatomic molecules in general coordinate system is determined. From this expression, it is easy to get the specific expression of vibrational Hamiltonian in common coordinate system without dealing with each coordinate system individually, thus solving the problem of derivation of molecular vibrational Hamiltonian satisfactorily. 2. A theoretical method of self-consistent field-configuration interaction (SCF-CI) is established, which can accurately solve the energy levels and wave functions of polyatomic molecules. In this method, the best independent mode basis function is obtained by self-consistent field, and then the energy level and wave function are obtained accurately by configuration interaction. For example, for H2O, the vibrational excited state of J≤2 is obtained by this method. For NO2, 142 convergent vibrational excited states are obtained theoretically for the first time. This method has two characteristics: ① the calculation scale is easy to control, and each step can be optimized; ② It is suitable for complex potential energy surface, because there are many shortcomings in selecting single-center basis function (such as harmonic oscillator or Morse wave function) for excited potential energy surface, and this method uses high-precision numerical algorithm to solve SCF equation to determine the numerical solution of basis function, which can well reflect the characteristics of potential energy surface. 3. A theoretical method is established to determine the potential energy surface of polyatomic molecules according to the experimental energy levels of vibration high excited states. The key points are as follows: firstly, SCF-CI method is used to obtain the accurate energy level of vibration high excited state, then Hellmann-Feynman theorem is applied to calculate the differential of vibration energy level to potential energy parameters, and finally nonlinear least square method is used to optimize potential energy parameters. The potential energy functions of a series of typical triatomic molecules, such as H2O, O3, CO2, SO2, H2Se, NO2 and N2O, are successfully optimized by this method, and the experimentally observed spectra of vibrational high excited states are well reproduced. 4. The self-consistent field-configuration interaction method for the study of vibrational excited states is successfully applied to the study of vibrational bound states in A-BC weakly interacting molecular system. The study of Ar-HCl and Ar-N2 systems shows that this method can obtain the same accuracy as other methods with large computation with less configuration. In addition, the intermolecular forces of a series of typical van der Waals molecules, such as He-LiH, Ne-OCS and He-CO2, and their vibrational excited state energy levels and transition frequencies are also determined, and the vibrational spectra observed in the experiment are accurately reproduced. In addition, Yan Guosen's scientific research work is worth mentioning as follows: ① An optimal scheme of molecular orbital localization is proposed, that is, the orbital exclusion method is used to determine the bonding region, and then the population number method is used to localize. This scheme has the advantages of simplicity and standardization. (2) A scheme to determine the excited state of molecular electrons is proposed, the key point of which is to approach the excited state to be determined by changing the configuration step by step, then optimize the molecular configuration and determine the excited state energy level by using multiple configuration self-consistent fields or configuration mixing methods. By applying it to H3+, the result is very consistent with the best value of the large workload completed by Clementi and others with Hylleaasci. The research project "coordination field theory" participated in by work performance won the first prize of national natural science in 1982; In 1999, the "Theoretical Study on Molecular Vibration to High Excited State" won the second prize of Sichuan Science and Technology Progress Award. Up to now, together with collaborators, I have compiled 3 monographs, published 19 papers in academic journals at home and abroad, and more than 7 papers have been included in SCI. Achievement Honor Yan Guosen, together with his collaborators, has published more than 16 papers in academic journals at home and abroad and participated in the compilation of 3 monographs. In 1984, he was awarded the title of "Young and Middle-aged Expert with Outstanding Contributions" by the State Science and Technology Commission, and since 1991, he has enjoyed a special allowance. Yan Guosen is also enthusiastic about teaching and personnel training, and has taught more than a dozen courses such as inorganic chemistry, physical chemistry, chemical thermodynamics and statistical thermodynamics, material structure and quantum chemistry, and molecular spectroscopy. He prepares lessons carefully, pays attention to logical reasoning in class, resolves difficulties, and introduces the research progress of the frontier of the discipline. He thinks that pointing out learning methods is more important than imparting knowledge, so he attaches great importance to the cultivation of students' self-learning ability. He also taught students to work hard in scientific work and not seek false reputation. Up to now, 21 masters and 1 doctors have been trained, of which 5 have become professors and 3 are doctoral supervisors working in China. After 2 years' efforts, the theoretical chemistry research group established in Sichuan University led by Yan Guosen enjoys a good reputation in academic exchanges at home and abroad. Related books From April 1984 to March 1989, Yan Guosen was the president of Sichuan University. At that time, the country's reform and opening up had achieved initial results, which was a good period for the development of higher education. During his five-year tenure, the capital construction of Sichuan University has greatly increased, with the construction of a new library and instrument testing center, a liberal arts building and an economics college building, and new dormitories for faculty and students. According to the needs, the departments of photoelectricity, materials, computer, bioengineering, accounting statistics, national economic management and adult education colleges were added or enriched; Exceptionally promoted and trained a group of outstanding young teachers; With the improvement of working conditions, the scale of running a school and the level of teaching and scientific research have been greatly improved. Yan Guosen feels very honored and gratified to contribute to the construction of colleges and universities. Yan Guosen is modest and polite, indifferent to fame and fortune. Hobbies are reading old-fashioned poems, enjoying classical music and practicing calligraphy. He said that this way, we can enjoy colorful life and add a lot of fun, and we can also realize that the meaning of life lies in creation from the immortal chapters of our predecessors. (Award-winning achievements, monographs, papers and patents, limited to 1 items) 1. Guosen Yan, Minghui Yang, and Daiqian Xie, Abinitio Potential Energy Surface and Rovibrational Spectrum of He-CO2, Journal of Chemical Physics, 1998, 19, 1284 . 2. Guosen Yan, Hui Xian, and Daiqian Xie, A potential energy surface for electronic ground state of N2O, Chemical Physics Letters, 1997, 271, 157. 3. Guosen Yan, Minghui Yang , and Daiqian Xie, Ab initio potential energy surface of Ne-OCS, Chemical Physics Letters, 1997, 275, 494. 4. Guosen Yan, Hui Xian, Daiqian Xie, An *** ytical ab initio potential energy surface of Li2H, Science in China (B), 1997, 4, 342. 5. Guosen Yan, Minghui Yang, and Daiqian Xie, Ab initio intermolecular potential energy surface of He-LiH, Science in China (B) ,1997, 4, 554. 6. Guosen Yan, Ying Xue, and Daiqian Xie , Ab initio studies on vibrational spectra of XSO2NCO(X=F,Cl) : the harmonic force fields and frequency assignments, Science in China (B), 1997, 41, 91. 7. Guosen Yan , Junkai Xie, and Daiqian Xie, Theoretical studies of the rovibrational spectrum and the potential energy function for the Ar-N2 complex, Chinese Science Bulletin , 1996, 41, 1281. 8. Guosen Yan and Daiqian Xie, A generalized rovibrational hamiltonian for triatomic molecules, Chinese Science Bulletin, 1995, 4, 1469. 9. Guosen Yan, Daiqian Xie, and Anmin Tian, A variational procedure for calculation of ro