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Fine and hyperfine structures of pionic helium atoms
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作者 白志达 钟振祥 +1 位作者 严宗朝 史庭云 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第2期236-241,共6页
The fine and hyperfine structures of pionic helium metastable states is calculated within the formalism of the Breit-Pauli Hamiltonian by using the variationally generated wave functions in Hylleraas coordinates.Our r... The fine and hyperfine structures of pionic helium metastable states is calculated within the formalism of the Breit-Pauli Hamiltonian by using the variationally generated wave functions in Hylleraas coordinates.Our results not only verify the existing values of Hori et al.[Phys.Rev.A 89,042515(2014)]for the fine structure of π^(4)He^(+),but also determine the hyperfine structure of π^(3)He^(+). 展开更多
关键词 exotic atom pionic helium fine structure hyperfine structure
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Envelope Method and More General New Global Structures of Solutions for Multi-dimensional Conservation Law
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作者 Gui-Qin Qiu Gao-Wei Cao +1 位作者 Xiao-Zhou Yang Yuan-An Zhao 《Communications on Applied Mathematics and Computation》 2023年第3期1180-1234,共55页
For the two-dimensional(2D)scalar conservation law,when the initial data contain two different constant states and the initial discontinuous curve is a general curve,then complex structures of wave interactions will b... For the two-dimensional(2D)scalar conservation law,when the initial data contain two different constant states and the initial discontinuous curve is a general curve,then complex structures of wave interactions will be generated.In this paper,by proposing and investigating the plus envelope,the minus envelope,and the mixed envelope of 2D non-selfsimilar rarefaction wave surfaces,we obtain and the prove the new structures and classifications of interactions between the 2D non-selfsimilar shock wave and the rarefaction wave.For the cases of the plus envelope and the minus envelope,we get and prove the necessary and sufficient criterion to judge these two envelopes and correspondingly get more general new structures of 2D solutions. 展开更多
关键词 Riemann problem Non-selfsimilar shock wave Non-selfsimilar rarefaction wave ENVELOPE Multi-dimensional conservation law
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An integrated microfluidics platform with high-throughput single-cell cloning array and concentration gradient generator for efficient cancer drug effect screening
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作者 Biao Wang Bang-Shun He +6 位作者 Xiao-Lan Ruan Jiang Zhu Rui Hu Jie Wang Ying Li Yun-Huang Yang Mai-Li Liu 《Military Medical Research》 SCIE CAS CSCD 2023年第3期325-341,共17页
Background:Tumor cell heterogeneity mediated drug resistance has been recognized as the stumbling block of cancer treatment.Elucidating the cytotoxicity of anticancer drugs at single-cell level in a high-throughput wa... Background:Tumor cell heterogeneity mediated drug resistance has been recognized as the stumbling block of cancer treatment.Elucidating the cytotoxicity of anticancer drugs at single-cell level in a high-throughput way is thus of great value for developing precision therapy.However,current techniques suffer from limitations in dynamically characterizing the responses of thousands of single cells or cell clones presented to multiple drug conditions.Methods:We developed a new microfluidics-based“SMART”platform that is Simple to operate,able to generate a Massive single-cell array and Multiplex drug concentrations,capable of keeping cells Alive,Retainable and Trackable in the microchambers.These features are achieved by integrating a Microfluidic chamber Array(4320 units)and a sixConcentration gradient generator(MAC),which enables highly efficient analysis of leukemia drug effects on single cells and cell clones in a high-throughput way.Results:A simple procedure produces 6 on-chip drug gradients to treat more than 3000 single cells or single-cell derived clones and thus allows an efficient and precise analysis of cell heterogeneity.The statistic results reveal that Imatinib(Ima)and Resveratrol(Res)combination treatment on single cells or clones is much more efficient than Ima or Res single drug treatment,indicated by the markedly reduced half maximal inhibitory concentration(IC50).Additionally,single-cell derived clones demonstrate a higher IC_(50) in each drug treatment compared to single cells.Moreover,primary cells isolated from two leukemia patients are also found with apparent heterogeneity upon drug treatment on MAC.Conclusions:This microfluidics-based“SMART”platform allows high-throughput single-cell capture and culture,dynamic drug-gradient treatment and cell response monitoring,which represents a new approach to efficiently investigate anticancer drug effects and should benefit drug discovery for leukemia and other cancers. 展开更多
关键词 MICROFLUIDICS Single-cell analysis LEUKEMIA High-throughput drug screening Single-cell cloning
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Building and characterizing a stylus ion-trap system
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作者 崔太豪 魏雅琪 +8 位作者 李冀 袁泉 戴双晴 李沛东 周飞 张建奇 郑驻军 陈亮 冯芒 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期122-127,共6页
Cold trapped ions can be excellent sensors for ultra-precision detection of physical quantities,which strongly depends on the measurement situation at hand.The stylus ion trap,formed by two concentric cylinders over a... Cold trapped ions can be excellent sensors for ultra-precision detection of physical quantities,which strongly depends on the measurement situation at hand.The stylus ion trap,formed by two concentric cylinders over a ground plane,holds the promise of relatively simple structure and larger solid angle for optical access and fluorescence collection in comparison with the conventional ion traps.Here we report our fabrication and characterization of the first stylus ion trap constructed in China,aiming for studying quantum optics and sensing weak electric fields in the future.We have observed the stable confinement of the ion in the trapping potential for more than two hours and measured the heating rate of the trap to be dε/dt=7.10±0.13 meV/s by the Doppler recooling method.Our work starts a way to building practical quantum sensors with high efficiency of optical collection and with ultimate goal for contributing to future quantum information technology. 展开更多
关键词 stylus ion trap electric-field noises Doppler recooling method heating rate
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Metabolic Changes in Rats with Photochemically Induced Cerebral Infarction and the Effects of Batroxobin:A Study by Magnetic Resonance Imaging,~1H-and ^(31)p-Magnetic Resonance Spectroscopy 被引量:6
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作者 管兴志 吴卫平 +6 位作者 匡培根 匡培梓 高杨 管林初 李丽云 毛希安 刘买利 《Journal of Traditional Chinese Medicine》 SCIE CAS CSCD 2001年第1期59-67,共9页
Metabolic changes in rats with photochemically induced cerebral infarction and the effects of batroxobin were investigated 1, 3, 5 and 7 days after infarction by means of magnetic resonance imaging (MRI), 1H- and 31P-... Metabolic changes in rats with photochemically induced cerebral infarction and the effects of batroxobin were investigated 1, 3, 5 and 7 days after infarction by means of magnetic resonance imaging (MRI), 1H- and 31P- magnetic resonance spectroscopy (MRS). A region of T2 hyperintensity was observed in left temporal neocortex in infarction group and batroxobin group 1, 3, 5 and 7 days after infarction. The volume of the region gradually decreased from 1 day to 7 days after infarction. The ratio of NAA/Cho+Cr in the region of T2 hyperintensity in the infarction group was significantly lower than that in the corresponding region in the sham-operated group 3, 5 and 7 days after infarction respectively (P<0.05). Lac appeared in the region of T2 hyperintensity in the infarction group 1, 3, 5 and 7 days after infarction, but it was not observed in the corresponding region in sham-operated group at all time points. Compared with the sham-operated group, the ratios of bATP/PME+PDE and PCr/PME+PDE of the whole brain in the infarction group were significantly lower 1, 3 and 5 days after infarction respectively (P<0.05), and the ratio of bATP/PCr also was significantly lower 1 day after infarction (P<0.05). Batroxobin significantly decreased the volume of the region of T2 hyperintensity 1 and 3 days after infarction (P<0.05), significantly increased the ratio of NAA/Cho+Cr in the region 5 and 7 days after infarction (P<0.05), significantly decreased the ratios of Lac/Cho+Cr and Lac/NAA in the region 5 and 7 days after infarction (P<0.05), and significantly increased the ratios of bATP/PME+PDE and bATP/PCr in the whole brain 1 day after infarction (P<0.05). The results indicated that the infracted region had severe edema, increased Lac and apparent neuronal dysfunction and death, and energy metabolism of the whole brain decreased after focal infarction, and that batroxobin effectively ameliorated the above-mentioned abnormal changes. 展开更多
关键词 动物 天门冬氨酸 BATROXOBIN 服的梗塞 磁性的回声成像 男性 光化学 使代理人具有感光性 随机的分配 老鼠 老鼠 Sprague-Dawley 罗斯孟加拉
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Experimental Study of Cell Migration and Functional Differentiation of Transplanted Neural Stem Cells Co-labeled with Superparamagnetic Iron Oxide and Brdu in an Ischemic Rat Model 被引量:8
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作者 WEN-ZHEN ZHU XIANG LI +4 位作者 JIAN-PIN QI ZHOU-PING TANG WEI WANG LI WEI AND HAO LEI 《Biomedical and Environmental Sciences》 SCIE CAS CSCD 2008年第5期420-424,共5页
Objective To explore the migration of transplanted neural stem cells co-labeled with superparamagnetic iron oxide (SPIO) and bromodeoxyuridine (Brdu) using the 4.7T MR system and to study the cell differentiation ... Objective To explore the migration of transplanted neural stem cells co-labeled with superparamagnetic iron oxide (SPIO) and bromodeoxyuridine (Brdu) using the 4.7T MR system and to study the cell differentiation with immuno-histochemical method in ischemic rats. Methods Rat neural stem cells (NSCs) co-labelled with SPIO mediated by poly-L-lysine and bromodeoxyuridine (BrdU) were transplanted into the unaffected side of rat brain with middle cerebral artery occlusion (MCAO). At weeks 1, 2, 3, 4, 5, and 6 after MCAO, migration of the labelled cells was monitored by MRI. At week 6 the rats were killed and their brain tissue was cut according to the migration site of transplanted ceils indicated by MRI and subjected to Prussian blue staining and immunohistochemical staining to observe the migration and differentiation of the transplanted NSCs. Results Three weeks after transplantation, the linear hypointensity area derived from the migration of labelled NSCs was observed by MRI in the corpus callosum adjacent to the injection site. Six weeks after the transplantation, the linear hypointensity area was moved toward the midline along the corpus callosum. MRI findings were confirmed by Prussian blue staining and immunohistochemical staining of the specimen at week 6 after the transplantation. Flourescence co-labelled immunohistochemical methods demonstrated that the transplanted NSCs could differentiate into astrocytes and neurons. Conclusion MRI can monitor the migration of SPIO-labelled NSCs after transplantation in a dynamical and non-invasive manner. NSCs transplanted into ischemic rats can differentiate into astrocytes and neurons during the process of migration. 展开更多
关键词 Stem cell transplantation Magnetic resonance imaging Staining and Labelling Cell migration Cell differentiation
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Decreased vibrational susceptibility of Fabry-Perot cavities via designs of geometry and structural support 被引量:6
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作者 杨涛 李文博 +1 位作者 臧二军 陈李生 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第5期1374-1384,共11页
Ultra-stable optical cavities are widely used for laser frequency stabilization. In these experiments the laser performance relies on the length stability of the Fabry-Perot cavities. Vibration-induced deformation is ... Ultra-stable optical cavities are widely used for laser frequency stabilization. In these experiments the laser performance relies on the length stability of the Fabry-Perot cavities. Vibration-induced deformation is one of the dominant factors that affect the stability of ultra-stable optical cavities. We have quantitatively analysed the elastic deformation of Fabry-Perot cavities with various shapes and mounting configurations. Our numerical result facilitates a novel approach for the design of ultra-stable cavities that are insensitive to vibrational perturbations. This approach can be applied to many experiments such as laser frequency stabilization, high-precision laser spectroscopy, and optical frequency standards. 展开更多
关键词 optical cavity laser frequency stabilization optical frequency standard precision measurement
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Quantum Wavefunctions and Fluctuations of Mesoscopic RLC Circuit 被引量:10
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作者 王继锁 刘堂昆 詹明生 《Chinese Physics Letters》 SCIE CAS CSCD 2000年第7期528-529,共2页
The quantum wavefunctions and the corresponding energy levels of a RLC (Resistance-Inductance-Capacity) electric circuit are obtained by using canonical quantization method and unitary transformation from the classica... The quantum wavefunctions and the corresponding energy levels of a RLC (Resistance-Inductance-Capacity) electric circuit are obtained by using canonical quantization method and unitary transformation from the classical equation of motion. The quantum fluctuations of charge and current in an arbitrary eigenstate of the system have also been given as wellas the uncertainty relation. It is showed that even if at 0 K charge and current in the circuit exhibit quantum fluctuations, which originates from fluctuations of zero point vibrations of the system. 展开更多
关键词 MOTION QUANTUM CHARGE
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Fluorescence Detection and Buffer Gas Cooling of Trapped Mercury Ions in Paul Trap 被引量:5
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作者 余磊 王文明 +4 位作者 白磊 孙焕尧 朱熙文 李交美 高克林 《Chinese Physics Letters》 SCIE CAS CSCD 2008年第5期1653-1656,共4页
Hg 离子在一个 hyperboloid 离子陷井被限制。用 rf 分泌物 Hg-202 同位素灯,套住的 Hg 离子的荧光信号被观察。借助于缓冲区气体冷却,离子的温度被减少。作为结果,套住的时间被增加,荧光灯的信号的 signal-to-noise 比率(SNR ) 被... Hg 离子在一个 hyperboloid 离子陷井被限制。用 rf 分泌物 Hg-202 同位素灯,套住的 Hg 离子的荧光信号被观察。借助于缓冲区气体冷却,离子的温度被减少。作为结果,套住的时间被增加,荧光灯的信号的 signal-to-noise 比率(SNR ) 被改进。离子云的温度被测量空间费用移动估计。 展开更多
关键词 荧光检测 缓冲器 气体冷却 重离子
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Effect of Pulse Width and Fluence of Femtosecond Laser on Electron-Phonon Relaxation Time 被引量:4
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作者 房然然 张端明 +3 位作者 魏华 李智华 杨风霞 谭新玉 《Chinese Physics Letters》 SCIE CAS CSCD 2008年第10期3716-3719,共4页
The electron phonon relaxation time as functions of pulse width and fluence of femtosecond laser is studied based on the two-temperature model. The two-temperature model is solved using a finite difference method for ... The electron phonon relaxation time as functions of pulse width and fluence of femtosecond laser is studied based on the two-temperature model. The two-temperature model is solved using a finite difference method for copper target. The temperature distribution of the electron and the lattice along with space and time for a certain laser fluence is presented. The time-dependence of lattice and electron temperature of the surface for different pulse width and different laser fluence are also performed, respectively. Moreover, the variation of heat-affected zone per pulse with laser Auence is obtained. The satisfactory agreement between our numerical results and experimental data indicates that the electron-phonon relaxation time is reasonably accurate with the influences of pulse width and Auence of femtosecond laser. 展开更多
关键词 the power-law exponents precipitation durative abrupt precipitation change
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CARLESON MEASURES,RIEMANN-STIELTJES OPERATORS AND MULTIPLIERS ON F(p,q,s)SPACES IN THE UNIT BALL OF C^n 被引量:3
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作者 彭茹 吴悠 邓方文 《Acta Mathematica Scientia》 SCIE CSCD 2016年第3期635-654,共20页
This paper is devoted to characterizing the Riemann-Stieltjes operators and pointwise multipliers on F(p, q, s) spaces in the unit ball of C^n which contain many classical function spaces, such as the Bloch space, B... This paper is devoted to characterizing the Riemann-Stieltjes operators and pointwise multipliers on F(p, q, s) spaces in the unit ball of C^n which contain many classical function spaces, such as the Bloch space, BMOA and Q8 spaces. The boundedness and compactness of these operators on F(p, q, s) spaces are characterized by means of an embedding theorem, i.e., F(p,q, s) spaces boundedly embedded into the tent-type spaces Tp,s^∞(μ) 展开更多
关键词 Carleson measures F(p q s) spaces tent-type spaces Riemann-Stieltjes operators MULTIPLIERS
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Assisted Cloning and Orthogonal Complementing of an Arbitrary Unknown Two-Qubit Entangled State 被引量:4
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作者 FANG Ming LIU Yi-Min +2 位作者 LIU Jun SHI Shou-Hua ZHANG Zhan-Jun 《Communications in Theoretical Physics》 SCIE CAS CSCD 2006年第5X期849-852,共4页
关键词 量子系化 纠缠态 投影测量 理论物理
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THE AVALANCHE DYNAMICS IN RANDOM NEAREST NEIGHBOR MODELS OF EVOLUTION WITH INTERACTION STRENGTH 被引量:2
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作者 贾武 范文涛 《Acta Mathematica Scientia》 SCIE CSCD 2006年第1期179-187,共9页
A generalized Bak-Sneppen model (BS model) of biological evolution with intcraction strength θ is introduced in d-dimensional space, where the “nearest neighbors” are chosen among the 2d neighbors of the extremal... A generalized Bak-Sneppen model (BS model) of biological evolution with intcraction strength θ is introduced in d-dimensional space, where the “nearest neighbors” are chosen among the 2d neighbors of the extremal site, with the probabilities rebated to the sizes of the fitnesses. Simulations of one- and two-dimensional models arc given.For given θ 〉 0, the model can self-organize, to a critical state, and the critical threshold fc(θ) decreases as θ increases. The exact gap equation depending on θ is presented, which reduces to the gap equation of BS model as θ tends to infinity. An exact cquation for the critical exponent γ(θ) is also obtained. Scaling relations are established among the six critical exponents of the avalanches of the model. 展开更多
关键词 BS model interaction strength gap equation AVALANCHE critical exponent
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GLOBAL EXISTENCE OF CLASSICAL SOLUTION FOR A VISCOUS LIQUID-GAS TWO-PHASE MODEL WITH MASS-DEPENDENT VISCOSITY AND VACUUM 被引量:2
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作者 王振 张卉 《Acta Mathematica Scientia》 SCIE CSCD 2014年第1期39-52,共14页
In this work, we obtain the global existence and uniqueness of classical solu-tions to a viscous liquid-gas two-phase model with mass-dependent viscosity and vacuum in one dimension, where the initial vacuum is allowe... In this work, we obtain the global existence and uniqueness of classical solu-tions to a viscous liquid-gas two-phase model with mass-dependent viscosity and vacuum in one dimension, where the initial vacuum is allowed. We get the upper and lower bounds of gas and liquid masses n and m by the continuity methods which we use to study the compressible Navier-Stokes equations. 展开更多
关键词 viscous liquid-gas two-phase model global classical solution VACUUM mass-dependent viscosity
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Lattice structures and electronic properties of CIGS/CdS interface:First-principles calculations 被引量:2
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作者 汤富领 刘冉 +4 位作者 薛红涛 路文江 冯煜东 芮执元 黄敏 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第7期661-666,共6页
Using first-principles calculations within density functional theory, we study the atomic structures and electronic properties of the perfect and defective (2VCu+ Incu) CulnGaSe2/CdS interfaces theoretically, espec... Using first-principles calculations within density functional theory, we study the atomic structures and electronic properties of the perfect and defective (2VCu+ Incu) CulnGaSe2/CdS interfaces theoretically, especially the interface states. We find that the local lattice structure of (2VCu+ InCu) interface is somewhat disorganized. By analyzing the local density of states projected on several atomic layers of the two interfaces models, we find that for the (2VCu+InCu) interface the interface states near the Fermi level in CulnGaSe2 and CdS band gap regions are mainly composed of interracial Se-4p, Cu-3d and S-3p orbitals, while for the perfect interface there are no clear interface states in the CulnGaSe2 region but only some interface states which are mainly composed of S-3p orbitals in the valance band of CdS region. 展开更多
关键词 first-principles calculation CulnGaSe2/CdS density of states interface states
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Numerical simulation of time delay interferometry for TAIJI and new LISA 被引量:2
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作者 Gang Wang Wei-Tou Ni 《Research in Astronomy and Astrophysics》 SCIE CAS CSCD 2019年第4期95-108,共14页
The success of LISA Pathfinder in demonstrating the LISA drag-free requirement paved the way for using space interferometers to detect low-frequency and middle-frequency gravitational waves(GWs). The TAIJI GW mission ... The success of LISA Pathfinder in demonstrating the LISA drag-free requirement paved the way for using space interferometers to detect low-frequency and middle-frequency gravitational waves(GWs). The TAIJI GW mission and the new LISA GW mission propose using an arm length of 3 Gm(1 Gm = 10~6 km) and an arm length of 2.5 Gm respectively. For a space laser-interferometric GW antenna,due to astrodynamical orbit variation, time delay interferometry(TDI) is needed to achieve nearly equivalent equal-arms for suppressing the laser frequency noise below the level of optical path noise, acceleration noise, etc in order to attain the requisite sensitivity. In this paper, we simulate TDI numerically for the TAIJI mission and the new LISA mission. To do this, we work out a set of 2200-day(6-year) optimized science orbits for each mission starting on 2028 March 22 using the CGC 2.7.1 ephemeris framework. Then we use the numerical method to calculate the residual optical path differences of the first-generation TDI configurations and the selected second-generation TDI configurations. The resulting optical path differences of the second-generation TDI configurations calculated for TAIJI, new LISA and eLISA are well below their respective requirements for laser frequency noise cancelation. However, for the first-generation TDI configurations, the original requirements need to be relaxed by 3 to 30 fold to be satisfied. For TAIJI and the new LISA, about one order of magnitude relaxation would be good and recommended; this could be borne on the laser stability requirement in view of recent progress in laser stability, or the GW detection sensitivities of the second-generation TDIs have to be used in the diagnosis of the observed data instead of the commonly used X, Y and Z TDIs. 展开更多
关键词 GRAVITATIONAL WAVES methods:numerical techniques:interferometric
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First-principles calculations of 5d atoms doped hexagonal-AlN sheets: Geometry, magnetic property and the influence of symmetry and symmetry-breaking on the electronic structure 被引量:2
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作者 汤富领 刘冉 +4 位作者 薛红涛 路文江 冯煜东 芮执元 黄敏 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第1期324-329,共6页
The geometry, electronic structure and magnetic property of the hexagonal A1N (h-AIN) sheet doped by 5d atoms (Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au and Hg) are investigated by first-principles calculations based on t... The geometry, electronic structure and magnetic property of the hexagonal A1N (h-AIN) sheet doped by 5d atoms (Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au and Hg) are investigated by first-principles calculations based on the density functional theory. The influence of symmetry and symmetry-breaking is also studied. There are two types of local symmetries of the doped systems: C3v and D3h. The symmetry will deviate from exact C3,, and D3h for some particular dopants after optimization. The total magnetic moments of the doped systems are 0/-tB for Lu, Ta and It; 1 ~B for Hf, W, Pt and Hg; 2gB for Re and Au; and 3/~B for Os and Al-vacancy. The total densities of state are presented, where impurity energy levels exist. The impurity energy levels and total magnetic moments can be explained by the splitting of 5d orbitals or molecular orbitals under different symmetries. 展开更多
关键词 hexagonal-AlN sheet first-principles calculations 5d atoms symmetry and symmetry-breaking
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An optical scheme for conditional generation of W state and photon-added coherent state 被引量:2
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作者 李燕 景辉 詹明生 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第7期1883-1888,共6页
We propose a simple scheme to generate an arbitrary photon-added coherent state of a travelling optical field by combining an array of degenerate parametric amplifiers and corresponding single-photon detectors. Partic... We propose a simple scheme to generate an arbitrary photon-added coherent state of a travelling optical field by combining an array of degenerate parametric amplifiers and corresponding single-photon detectors. Particularly, when the single-photon-added coherent state is observed by developing the novel technique of Zavatta et al (2004 Science 306 660), we can simultar/eously obtain the generalized N-qubit W state. 展开更多
关键词 photon-added coherent state W state parametric down-conversion
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MULTIPLE SOLUTIONS AND THEIR LIMITING BEHAVIOR OF COUPLED NONLINEAR SCHRDINGER SYSTEMS 被引量:1
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作者 万优艳 《Acta Mathematica Scientia》 SCIE CSCD 2010年第4期1199-1218,共20页
We study the multiplicity of positive solutions and their limiting behavior as ε tends to zero for a class of coupled nonlinear Schrdinger system in R^N . We relate the number of positive solutions to the topology of... We study the multiplicity of positive solutions and their limiting behavior as ε tends to zero for a class of coupled nonlinear Schrdinger system in R^N . We relate the number of positive solutions to the topology of the set of minimum points of the least energy function for ε suffciently small. Also, we verify that these solutions concentrate at a global minimum point of the least energy function. 展开更多
关键词 Elliptic system Schrdinger equation variational methods Nehari manifold relative category CONCENTRATION
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Vibrational Spectra and Quantum Calculations of Ethylbenzene 被引量:1
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作者 Jian Wang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第5期526-532,I0003,共8页
处于第一个激动的状态的 ethylbenzene 的正常颤动用反响的二光子的电离光谱学被学习了。S1S0 转变的 ethylbenzene 的乐队起源出现在 37586 cm1。在处于第一个激动的状态的乐队起源上面的 2000 cm1 的一个震动的系列被获得了。几链扭... 处于第一个激动的状态的 ethylbenzene 的正常颤动用反响的二光子的电离光谱学被学习了。S1S0 转变的 ethylbenzene 的乐队起源出现在 37586 cm1。在处于第一个激动的状态的乐队起源上面的 2000 cm1 的一个震动的系列被获得了。几链扭转和正常颤动在光谱被获得。第一个激动的状态的精力被时间依赖者密度功能理论和配置相互作用单身者(CIS ) 方法与各种各样的基础集合计算。优化结构和 S0 和 S1 状态的震动的频率与基础设置了的 6-311++G (2d,2p ) 用 Hartree-Fock 和 CIS 方法被计算。处于 S0 和 S1 状态的计算几何结构是乙醇组的对称的飞机对戒指飞机垂直的笨拙的符合构造。所有观察光谱乐队们成功地在我们的计算的帮助下被分配了。 展开更多
关键词 量子计算 乙苯 红外光谱 HARTREE-FOCK 第一激发态 CIS方法 组态相互作用 密度泛函理论
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