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Accurate studies on the full vibrational energy spectra and molecular dissociation energies for some electronic states of N_(2)molecule

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Science china(physics,Mechanics & Astronomy) 2005年第4期48卷 385-398页

作者： REN Weiyi1,2, SUN Weiguo1, HOU Shilin3 & FENG Hao4.1. Institute of physics, College of Chemical Engineering, Sichuan university, Chengdu 610065, china 2. Institute of Theoretical physics, Xihua {4. university, Nanchong 637002, china 3. department of physics, china Oceanography university, Qingdao 266003, china 4. College of physics, Sichuan university, Chengdu 610065, china 1. Institute of physics College of Chemical Engineering Sichuan University 610065 Chengdu China 2. Institute of Theoretical physics Xihua Normal University 637002 Nanchong China 3. department of physics China Oceanography University 266003 Qingdao China 4. College of physics Sichuan University 610065 Chengdu China

It is usually very difficult to directly obtain molecular dissociation energy De and all accurate high-lying vibrational energies for most diatomic electronic states using modern experimental techniques or quantum theories, and it is also very difficult to give accurate analytical expression for diatomic molecular dissociation energy. This study proposes a new analytical formula for obtaining accurate molecular dissociation energy based on the LeRoy and Bernstein’s energy expression in dissociation limit. A set of full vibrational energy spectra for some electronic states of N2 molecule are studied using the algebraic method (AM) suggested recently, and the corresponding accurate molecular dissociation energies are evaluated using the proposed new formula and high-lying AM vibrational energies. The results show that the AM spectra and the new theoretical dissociation energies agree excellently with experimental data, and thereby providing a new physical approach to generating accurate dissociation energies for electronic states of diatomic molecules.

关键词： vibrational energy, dissociation energy, nitrogen molecule, algebraic method.

Estimating surface evapotranspiration using combined MODIS and CBERS-02 data

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Science china(Technological Sciences) 2005年第S2期48卷 145-160页

作者： XIN Xiaozhou1,2, LIU Qinhuo1, TANG Yong1,3, TIAN Guoliang1, GU Xingfa1, LI Xiaowen1,2, ZHENG Hongsheng4.& CHEN Jiayi4.1. State Key Laboratory of Remote Sensing Science, Institute of Remote Sensing Applications, Chinese Academy of Sciences, Beijing 100101, china 2. Research Center for Remote Sensing and GIS, department of Geography, Beijing normal university, Beijing {4., china 3. Graduate university of Chinese Academy of Sciences, Beijing 100039, china 4. department of Atmospheric physics, Peking university, Beijing 100871, china 1. State Key Laboratory of Remote Sensing Science Institute of Remote Sensing Applications Chinese Academy of Sciences 100101 Beijing China2. Research Center for Remote Sensing and GIS Department of Geography Beijing Normal University 100875 Beijing China3. Graduate University of Chinese Academy of Sciences 100039 Beijing China4. Department of Atmospheric Physics Peking University 100871 Beijing China

Spatial scale error is one of the most serious problems in the estimates of land surface heat fluxes of sensible and latent from satellite-borne data such as MODIS 1km resolution reflectance and emissive data. One of the feasible and economic ways to decrease the spatial scale error is to use high resolution land use class data together with the MODIS data. CBERS-02 data were used to produce land use class of Baiyangdian area, Hebei Province, china in the autumn of 2004. The area ratio of each class in MODIS pixel was calculated, and used to derive the heat fluxes of the mixed pixel. The results showed that the estimated heat fluxes of soil, sensible and latent have been changed remarkably after using the high resolution land class data. It could be concluded from the comparison between simulated and ground-measured fluxes as well as the theoretical analysis that high resolution land class data are useful to diminishing the scale error of heat fluxes estimated from low resolution satellite data.

关键词： surface evapotranspiration spatial scale error MODIS CBERS land class.

Proton induced X-ray emission (PIXE) analysis of sources of porcelain body of Ru Guan and Jun Guan porcelains

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Science china(physics,Mechanics & Astronomy) 2006年第4期49卷 411-420页

作者： LI Guoxia1, ZHAO Weijuan1, LI Rongwu2, SUN Hongwei1, GUO Min1, WANG Yanfang1, LIU Hui1, ZHAO Qingyun3, SUN Xinmin3, ZHAO Wenjun3 & CHENG Huansheng4.1. Faculty of Physical Engineering, Zhengzhou university, Zhengzhou 4.0052, china 2. department of physics, Beijing {4. university, Beijing 100875, china 3. Institute of Cultural Relic and Archaeology of Henan Province, Zhengzhou 4.0000, china 4. Institute of Modern physics, Fudan university, Shanghai 2004.3, china Faculty of Physical Engineering Zhengzhou University Zhengzhou 450052 China department of physics Beijing Normal University Beijing 100875 China Institute of Cultural Relic Archaeology of Henan Province Zhengzhou 450000 China Institute of Modern physics Fudan University Shanghai 200433 China

34.samples of Ru Guan porcelain body and 50 samples of Jun Guan porcelain body (both kinds being in different body colors) were selected with the purpose of finding out the source of raw materials and their classification relationship so as to search for ways of non-destructive discrimination. Proton induced X-ray emission (PIXE) has been applied to these samples to determine their chemical elements. The data of seven major chemical elements collected from these samples were further studied through fuzzy cluster analysis. Results indicate that the origin of raw materials of Jun Guan porcelain body samples is comparatively more concentrated in certain places, while that of Ru Guan porcelain body samples is scattered about. The places of origin of raw materials of the majority of Ru Guan and Jun Guan porcelain body samples have something in common, but some differences still exist. It might be an important way for non-destructive discrimination among Ru Guan and Jun Guan porcelains by combining PIXE with fuzzy cluster analysis.

关键词： Ru Guan and Jun Guan porcelain, source of porcelain body, PIXE, fuzzy cluster analysis, non-destructive discrimination.

Theoretical study on the reaction mechanism of(CH_3)_3CO+CO

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Science china Chemistry 2005年第1期48卷 18-24页

作者： ZHAO Hongmei1,2,3, SUN Chengke1,4. ZHANG Rongchang3, XI Hongmin3 & LI Zonghe1 1. department of Chemistry, Beijing normal university, Beijing 100875,{4. 2. The Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080,{4. 3. department of Chemistry, Beihua university, Jilin 132013,{4. 4. department of Chemistry, Qujing normal university, Yunnan 655000,{4. 1. department of Chemistry Beijing Normal University 100875 Beijing China 2. The Laboratory of Molecular Reaction Dynamics Institute of Chemistry Chinese Academy of Sciences 100080 Beijing China 3. department of Chemistry Beihua University 132013 Jilin China 4. department of Chemistry Qujing Normal University 655000 Yunnan China

The reaction mechanism of (CH3)3CO with CO has been theoretically investigated using density-functional theory (DFT) calculations at B3LYP/6-31G* level. In order to get more reliable energy values the single-point energy is evaluated at CCSD (T)/6-31++G** level. The results show that the reaction is multi-channel and the reaction of (CH3)3CO radical with CO mostly produces (CH3)3C + CO2. The reaction could play a role in eliminating air pollution.

关键词： DFT, B3LYP, (CH3)3CO, radical.

X-ray spectra induced in highly charged 4.Ar^q+ interacting with Au surface

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Science china(physics,Mechanics & Astronomy) 2006年第2期49卷 203-212页

作者： ZHANG Xiao’an1,2, XIAO Guoqing1, YANG Zhihu1, CHEN Ximeng3, ZHAO Yongtao1, LI Fuli4. ZHANG Yinping1, CUI Ying3, ZHANG Hongqiang3, XU Xu3, SHAO Jianxiong3 & ZHAN Wenlong11. Institute of Modern physics, Chinese Academy of Sciences, Lanzhou 730000, china 2. department of physics, Xianyang {4. university, Xianyang 712000, china 3. department of Modern physics, Lanzhou university, Lanzhou 730000, china 4. department of Applied physics, Xi’an Jiaotong university, Xi’an 71004., china 1. Institute of Modern physics Chinese Academy of Sciences Lanzhou 730000 China 2. department of physics Xianyang Normal University Xianyang 712000 China 3. department of Modern physics Lanzhou University Lanzhou 730000 China 4. department of Applied physics Xi’an Jiaotong University Xi’an 710049 China

By use of optical spectrum technology, the spectra of X-ray induced by highly charged 4.Arq+ ions interacting with Au surface have been studied. The results show that the argon Kα X-ray were emitted from the hollow atoms formed below the surface. There is a process of multi-electron exciting in neutralization of the Ar16+ion, with electronic con-figuration 1s2 in its ground state below the solid surface. The yield of the projectile Kα X-ray is related to its initial electronic configuration, and the yield of the target X-ray is related to the projectile kinetic energy.

关键词： highly charged ion hollow multi-electron excitation X- ray.

Entropy product measure for multipartite pure states

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Science china(physics,Mechanics & Astronomy) 2006年第5期49卷 606-615页

作者： CAO Wancang1,2, LIU Dan2, PAN Feng3 & LONG Guilu2,4.1. department of physics, Chifeng College, Chifeng 024.01, china 2. Key Laboratory for Quantum Information and Measurements, department of physics, Tsinghua university, Beijing 100084. china 3. department of physics, Liaoning normal university, Dalian 116029, china 4. Key Laboratory for Atomic and Molecular Nano-Sciences, Tsinghua university, Beijing 100084. china Correspondence should be addressed to Long Guilu department of physics Chifeng College Chifeng 024001 China Key Laboratory for Quantum Information Measurements Department of Physics Tsinghua University Beijing 100084 China department of physics Liaoning Normal University Dalian 116029 China Key Laboratory for Atomic Molecular Nano-Sciences Tsinghua University Beijing 100084 China

An entanglement measure for multipartite pure states is formulated using the product of the von Neumann entropy of the reduced density matrices of the constituents. Based on this new measure, all possible ways of the maximal entanglement of the triqubit pure states are studied in detail and all types of the maximal entanglement have been compared with the result of ‘the average entropy’. The new measure can be used to calculate the degree of entanglement, and an improvement is given in the area near the zero entropy.

关键词： multipartite pure state von Neumann entropy entanglement measure

Exotic structure of the third excited state in^(21)Na

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Chinese Science Bulletin 2005年第23期50卷 2677-2680页

作者： LI Xihan1,2,3, LIANG Yujie1,2,3, DENG Fuguo1,2,3, LIU Zuhua1,4.& ZHOU Hongyu1,2,3 1. Key Laboratory of Beam Technology and Material Modification of Minister of Education, Beijing normal university, Beijing 100875, china 2. Institute of Low Energy Nuclear {4., and department of Material Science and Engineering, Beijing normal university, Beijing 100875, china 3. Beijing Radiation Center, Beijing 100875, china 4. china Institute of Atomic Energy, Beijing 1024.3, china Key Laboratory of Beam Technology and Material Modification of Minister of Education Beijing Normal University Beijing 100875 China Institute of Low Energy Nuclear physics and Department of Material Science and Engineering Beijing Normal University Beijing 100875 China Beijing Radiation Center Beijing 100875 China china Institute of Atomic Energy Beijing 102413 China

The probability of the last proton being out of the binding potential, P and the root-mean-square (rms) ra- dius (1/2= of the third excited state in 21Na are calcu- lated by means of asymptotic normalization coefficient (ANC) method with the experimental date existing. The results are P=54.73% and 1/2=5.28 fm respectively. The P value and the contribution of the asymptotic part to the 1/2 are compared with those of several other low energy states in 21Na. It is found that the valence particle in the third excited state has an obvious larger P than those of other states. The density distribution of the valence proton in this state is also compared with the nucleons in the nuclear core 20Ne, and a far extended tail can be seen clearly. These results show that the third ex- cited state in 21Na is a proton halo state.

关键词：钠第三激发态外部结构有效半径密度分布渐近标准化系数

β-delayed proton decays near the proton drip line

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Science china(physics,Mechanics & Astronomy) 2005年第3期48卷 257-267页

作者： XU Shuwei 1 , LI Zhankui 1 , XIE Yuanxiang 1 , HUANG Wenxue 1 , SHU Nengchuan 2 , CHEN Yongshou 2 , XU Furong 3 , WANG Kun 4., PAN Qiangyan 1 , WANG Xudong 1 , YU Yong 1 & XING Yebing 1 1. Institute of Modern physics, Chinese Academy of Sciences, Lanzhou 730000, china 2. Nuclear physics department, china Institute of Atomic Energy, Beijing 1024.3, china 3. department of Technical physics, Peking university, Beijing 100871, china 4. Shanghai Institute for Nuclear Research, Shanghai 201800, china 1. Institute of Modern physics Chinese Academy of Sciences 730000 Lanzhou China 2. Nuclear physics department China Institute of Atomic Energy 102413 Beijing China 3. department of Technical physics Peking University 100871 Beijing China 4. Shanghai Institute for Nuclear Research 201800 Shanghai China

We briefly reviewed the experimental study on a-delayed proton decays near the proton drip line published by our group during the period of 1996―2004. namely the first observation of the a-delayed proton decays of 9 new nuclides in the rare-earth region and the new measurements of a-delayed proton decays of 5 nuclides in the mass ～90 region near the N = Z line with the aid of the “p-?” coincidence in combination with a He-jet tape transport system. In the meantime some important experimental technique details were supplemented. The experimental results, including the half -lives, spins, parities, deformations and production reaction cross sections for the 14.nuclei were summarized and compared with the current nuclear-model predictions, and then the following points were represented. (1) The experimental half-lives for 85Mo and 92Rh as well as the predicted “waiting point” nuclei 89Ru and 93Pd are 5―10 times longer than the theoretical predictions given by M?ller et al. using a macroscopic-microscopic model. It considerably influences the predictions of the abundances of the nuclides produced in the rp-process. (2) The current-model predictions are not consistent with the experimental assignments of the spins and parities for the proton drip-line nuclei 14.Ho and 128Pm. However, the nuclear potential energy surface (PES) calculated by using a Woods- Saxon-Strutinsky method reproduced the experimental results. (3) The Alice code overestimated the production reaction cross sections of the studied 9 rare-earth nuclei by one order of magnitude or two, while HIVAP code overestimated them by one order of magnitude approximately.

关键词： proton drip line, β-delayed proton decay, He-jet tape transport system, "p-γ" coincidence, spin, parity, deformation, production reaction cross section.

Synthesis of superheavy nuclei with ^(238)U target

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Science china(physics,Mechanics & Astronomy) 2009年第10期52卷 1482-1488页

作者： LIU ZuHua1,3 & BAO JingDong2,4.1 Key Laboratory of Beam Technology and Material Modification of Ministry of Education,Beijing normal university,Beijing 100875,china 2 {4. of physics,Beijing normal university,Beijing 100875,china 3 china Institute of Atomic Energy,Beijing 1024.3,china 4.Center of Theoretical Nuclear physics,National Laboratory of Heavy Ion Accelerator of Lanzhou,Lanzhou 730000,china Key Laboratory of Beam Technology and Material Modification of Ministry of Education Beijing Normal University Beijing 100875 China department of physics Beijing Normal University Beijing 100875 China china Institute of Atomic Energy Beijing 102413 China Center of Theoretical Nuclear physics National Laboratory of Heavy Ion Accelerator of Lanzhou Lanzhou 730000 China

The production of superheavy nuclei with Z=108-116 via hot fusion reactions of the neutron-rich projectiles with 238U target is systematically *** results show that the production cross sections of superheavy nuclei do not decrease monotonously as the atomic number Z *** cross sections of the superheavy nuclei at Z = 112 and 115 are enhanced as compared with the whole Z-trend in synthesis of the superheavy nuclei,which clearly illustrates that the reactions with large negative Q-value and shell correction are more favorable to synthesize superheavy nuclei.

关键词： superheavy nuclei fusion reaction cross section 238U target