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基于相参量重构的逆变系统输出功率分析
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作者 黄银国 王泽晶 +1 位作者 赵美蓉 郑叶龙 《电力电子技术》 CSCD 北大核心 2021年第4期72-76,共5页
逆变器的输出功率对逆变系统的功率控制、无功补偿和输出电能质量监测具有重要意义。将瞬时功率理论应用于逆变器输出功率分析,提出了一种基于三相电参量重构的功率分析方法。该方法只对直流信号进行采样,避免使用交流传感器,减小了装... 逆变器的输出功率对逆变系统的功率控制、无功补偿和输出电能质量监测具有重要意义。将瞬时功率理论应用于逆变器输出功率分析,提出了一种基于三相电参量重构的功率分析方法。该方法只对直流信号进行采样,避免使用交流传感器,减小了装置体积,便于集成,降低了系统成本。针对电压源型脉宽调制(PWM)逆变器,建立了由直流电参量表征的相电压和相电流模型。以电机驱动控制为实验对象,搭建了逆变器功率分析实验平台。在此基础上,对比测试了 3种转速条件下的重构法和直接法,计算出瞬时有功功率、瞬时无功功率、视在功率和功率因数的最大误差分别为3.25%,3.09%,1.46%和3.66%,验证了重构功率分析方法的可行性。 展开更多
关键词 逆变器 相参量重构 逆变系统
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C和Nb含量对TP347HFG钢在650℃析出相参量和持久寿命的影响 被引量:11
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作者 彭志方 党莹樱 彭芳芳 《金属学报》 SCIE EI CAS CSCD 北大核心 2012年第4期450-454,共5页
研究了C和Nb含量对TP347HFG钢在650℃析出相参量(成分、体积分数和尺寸)和持久寿命的影响.对ASME成分范围内的2种不同C和Nb含量的TP347HFG钢在650℃,230和150 MPa条件下进行持久实验,持久寿命分别为199,420 h和2426,8837 h,其中C含量较... 研究了C和Nb含量对TP347HFG钢在650℃析出相参量(成分、体积分数和尺寸)和持久寿命的影响.对ASME成分范围内的2种不同C和Nb含量的TP347HFG钢在650℃,230和150 MPa条件下进行持久实验,持久寿命分别为199,420 h和2426,8837 h,其中C含量较低Nb含量较高的样品持久寿命较长.对持久管样的EPMA-EDS+MPSM和TEM-EDS分析表明,较低的C含量和较高的Nb含量对应较少的M_(23)C_6和较多的MX,并阻碍了M_(23)C_6的聚集粗化,同时基体中可保留较多的Cr,有利于延长持久寿命.此外,运用热力学软件Thermo-Calc分析了在500-1300℃范围内C和Nb组合含量的变化对各相成分和体积分数的影响,与实验结果相吻合. 展开更多
关键词 TP347HFG钢 C和Nb含量 相参量 持久寿命
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参量相控发射阵的研制
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作者 费国强 林家旺 +1 位作者 杜纪新 李继增 《声学与电子工程》 1998年第4期9-13,共5页
本文介绍参量阵在信息传送、水下电话、海底剖面测量等应用的近年发展,以及参量相控发射阵在提高参量声呐性能方面的潜力:阐述矩形参量相控发射阵的设计和性能计算,给出测试结果。所研制阵的两个原频声波频率分别为f_L=41~45kHz,f_H=46... 本文介绍参量阵在信息传送、水下电话、海底剖面测量等应用的近年发展,以及参量相控发射阵在提高参量声呐性能方面的潜力:阐述矩形参量相控发射阵的设计和性能计算,给出测试结果。所研制阵的两个原频声波频率分别为f_L=41~45kHz,f_H=46~49kHz。差频声波频率f_N=3~8kHz。波束宽度θ_(-3dB)=6.7°,随f_s变化很小。在f_s=7kHz时,差频声源级SL_s超过186dB,参量增益G约为-41dB。在相控信号激励下,差频波束与原频波束同步扫描,在相控角θ_0不大时(θ_0≤12°),θ_(-3dB)几乎不随θ_0变化,当θ_0=12°时,SL_s平均下降2.2dB,可满足多波束发射的需要。 展开更多
关键词 参量控发射阵 波束特性 声源级 声呐
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Inconel 740H蠕变过程中晶界M_(23)C_6的粗化行为 被引量:4
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作者 党莹樱 赵新宝 +2 位作者 尹宏飞 杨征 谷月峰 《材料科学与工艺》 EI CAS CSCD 北大核心 2017年第6期22-26,共5页
为了解700℃超临界电站锅炉过/再热器用主要候选材料Inconel 740H晶界M_(23)C_6相在蠕变过程中的粗化行为,对通过真空感应熔炼和真空电弧重熔双联工艺制备的合金,在750℃/200 MPa条件下分别开展蠕变中断与蠕变断裂试验,并利用扫描电镜... 为了解700℃超临界电站锅炉过/再热器用主要候选材料Inconel 740H晶界M_(23)C_6相在蠕变过程中的粗化行为,对通过真空感应熔炼和真空电弧重熔双联工艺制备的合金,在750℃/200 MPa条件下分别开展蠕变中断与蠕变断裂试验,并利用扫描电镜、透射电镜、能谱分析仪等测试方法对晶界M_(23)C_6相进行表征.采用Image-Pro Plus软件对相参量进行定量统计,进而分析其变化趋势.研究表明:在所研究温度、应力及时间范围内,随着蠕变时间的延长,晶界富Cr的M_(23)C_6相逐渐由粒状、短棒状发展成为长条、半连续的链状分布;粒子沿平行于晶界方向的长大速率明显高于沿垂直于晶界方向的长大速率,但二者的粗化均表现出尺寸三次方与时间之间呈线性关系的规律;相数量的增加与蠕变时间亦呈线性关系;与尺寸的粗化相比,相数量的增长较为缓慢,外加应力在一定程度上促进了M_(23)C_6的析出. 展开更多
关键词 INCONEL 740H 蠕变 晶界 M23C6 相参量
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Asymmetry in the Strong-field Photodetachment of H- by Linearly Polarized Few-cycle Pulses
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作者 白丽华 刘宇恒 +2 位作者 崔婷婷 王燕 张惠芳 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2011年第2期141-144,I0003,共5页
Photodetachment of H- irradiated by linearly polarized few-cycle laser field is investigated by time-dependent SchrSdinger equation numerically. The photo-electron left-right asymmetry parameter as a function of carri... Photodetachment of H- irradiated by linearly polarized few-cycle laser field is investigated by time-dependent SchrSdinger equation numerically. The photo-electron left-right asymmetry parameter as a function of carrier-envelop (CE) phase of few-cycle pulses is attained. We confirm the asymmetry of photoelectron distribution in H- photodetachment and find that the maximal asymmetry parameter of H- is equal to that of H atom under the same conditions but the corresponding CE phases are quite different. Thus a CE phase shift appears. Compared to that of H atom and field free electron, the zero asymmetry CE phase shift is sensitively affected by Coulomb field. The Coulomb effect on the asymmetry of H- photodetachment mainly behaves in the CE phase shift of H- instead of the amplitude of asymmetry parameter curve. 展开更多
关键词 Asymmetry parameter PHOTODETACHMENT Carrier-envelop phase Few-cycle pulse H-
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Correlation of the quantifiable parameters of blood flow pattern derived with dynamic CT in solitary bronchogenic adenocarcinoma 被引量:8
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作者 Shenjiang Li Xiangsheng Xiao +3 位作者 Shiyuan Liu Huimin Li Chengzhou Li Chenshi Zhang 《The Chinese-German Journal of Clinical Oncology》 CAS 2007年第4期345-349,共5页
Objective:To evaluate the correlation of the quantifiable parameters of blood flow pattern derived with dynamic CT in solitary bronchogenic adenocarcinoma(SBA).Methods:46 patients with solitary bronchogenic adenocarci... Objective:To evaluate the correlation of the quantifiable parameters of blood flow pattern derived with dynamic CT in solitary bronchogenic adenocarcinoma(SBA).Methods:46 patients with solitary bronchogenic adenocarcinomas (SBA)(diameter≤4 cm)underwent multi-location dynamic contrast material-enhanced(nonionic contrast material was administrated via the antecubital vein at a rate of 4 mL/s by using an autoinjector 90 mL,4×5 mm or 4×2.5 mm scanning mode with stable table were performed)serial CT.Precontrast and postcontrast attenuation on every scan was recorded.Perfusion (PBA),peak height(PHBA),ratio of peak height of the SPN to that of the aorta(BA-to-A ratio)and mean transit time(MTT)were calculated.The correlation between peak height of the aorta(PHA)and parameters of the SBA(PHBA,BA-to-A ratio,PBA,and MTT)and those among parameters of the SBA were assessed by means of linear regression analysis.Regression equation among parameters of the SBA were obtain by means of stepwise regression.Results:The correlation between the SBA peak height(PHBA,36.78 HU±12.02)and the aortic peak height(PHA)was significant(r=0.506,P<0.0001).No significant cor- relation was found between the BA-to-Apeak height ratio(15.33%±4.55)and the aortic peak height(r=0.130,P=0.388> 0.05)as it was between the SBA perfusion(PBA,31.86 mL/min/100 g±9.74)and the aortic peak height(r=0.049,P=0.749 >0.05).The SBA perfusion correlated with the PHBA and the BA-to-A peak height ratio(r=0.394,P=0.007<0.05;r=0.407, P=0.005<0.05).The PHBA correlated positively with the BA-to-A peak height ratio(r=0.781,P<0.0001).Mean transit time was 14.84 s±5.52.PBA=18.500+0.872×BA-to-A ratio.BA-to-A ratio=4.467+0.295×PHBA.Conclusion:The linear correlation between the SBA perfusion and BA-to-Aratio and that between BA-to-Aratio and PHBA can be expressed by equation. It is possible to design a simpler scanning procedure of investigation of bronchogenic adenocarcinoma angiogenesis. 展开更多
关键词 bronchogenic adenocarcinoma blood flow pattern CT quantifiable parameters linear correlation
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CRAMER-RAO BOUNDS FOR PARAMETER ESTIMATION OF PHASE-CODING SIGNALS
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作者 HuangChunlin JiangWengli ZhouYiyu 《Journal of Electronics(China)》 2005年第1期1-8,共8页
In this paper, Cramer-Rao Bound (CRB) is derived from phase-coding signal with additive white noise, where three important parameters are focused on: carrier frequency, chip width and amplitude. Simplified and close f... In this paper, Cramer-Rao Bound (CRB) is derived from phase-coding signal with additive white noise, where three important parameters are focused on: carrier frequency, chip width and amplitude. Simplified and close form expressions of CRB are obtained through complicated derivation, and then are applied to evaluate the performance of the cyclic estimator.The results are accurate enough and serve well as benchmark for evaluating the performance of parameter estimation method. Numerical simulations illustrate the accuracy and applicability of the derived CRB. 展开更多
关键词 Cramer-Rao Bound (CRB) Phase-coding signal Parameter estimation
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Model improvement and verification of ring electrostatic sensors
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作者 DENG Fang-fang ZHANG Jian-yong +3 位作者 CHENG Rui-xue ZHOU Han-chang WANG Gao YAN Bing 《Journal of Measurement Science and Instrumentation》 CAS CSCD 2018年第1期68-72,共5页
Accurate measurement of flow parameters is important in gas-solid two-phase flow,and such flow has to be dealt with in many processes involving bulk solids handling and transportation.The circular electrostatic sensor... Accurate measurement of flow parameters is important in gas-solid two-phase flow,and such flow has to be dealt with in many processes involving bulk solids handling and transportation.The circular electrostatic sensor is one of those used for gas-solid flow measurement.In this paper,the finite element method(FEM)is used to establish the mathematical model of the sensor,the spatial sensitivity characteristics of the sensors is analyzed,and the analytic model is improved by the nonlinear least square method and the iterative method.Finally,the correlation coefficients between the experimental results and the improved processing are compared and analyzed,and the mathematical expression of the model is improved.The feasibility and practicability of the improved model are verified. 展开更多
关键词 electrostatic sensor gas-solid flow measurement of flow parameters
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Multi-objective optimisation of a vehicle energy absorption structure based on surrogate model 被引量:4
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作者 谢素超 周辉 《Journal of Central South University》 SCIE EI CAS 2014年第6期2539-2546,共8页
In order to optimize the crashworthy characteristic of energy-absorbing structures, the surrogate models of specific energy absorption (SEA) and ratio of SEA to initial peak force (REAF) with respect to the design... In order to optimize the crashworthy characteristic of energy-absorbing structures, the surrogate models of specific energy absorption (SEA) and ratio of SEA to initial peak force (REAF) with respect to the design parameters were respectively constructed based on surrogate model optimization methods (polynomial response surface method (PRSM) and Kriging method (KM)). Firstly, the sample data were prepared through the design of experiment (DOE). Then, the test data models were set up based on the theory of surrogate model, and the data samples were trained to obtain the response relationship between the SEA &amp; REAF and design parameters. At last, the structure optimal parameters were obtained by visual analysis and genetic algorithm (GA). The results indicate that the KM, where the local interpolation method is used in Gauss correlation function, has the highest fitting accuracy and the structure optimal parameters are obtained as: the SEA of 29.8558 kJ/kg (corresponding toa=70 mm andt= 3.5 mm) and REAF of 0.2896 (corresponding toa=70 mm andt=1.9615 mm). The basis function of the quartic PRSM with higher order than that of the quadratic PRSM, and the mutual influence of the design variables are considered, so the fitting accuracy of the quartic PRSM is higher than that of the quadratic PRSM. 展开更多
关键词 railway vehicle energy-absorbing structure surrogate model Kriging method (KM) polynomial response surface method (PRSM) structure optimization
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Measurement of Apex Offsets for Fiber Connector End Faces 被引量:1
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作者 XU Yong-xiang ZHU Ri-hong CHEN Lei 《Semiconductor Photonics and Technology》 CAS 2006年第4期270-275,共6页
As one of the most important geometric parameters for a PC-type fiber connector end face, apex offset can contribute to high insertion loss and high back-reflection reading. A novel measurement method for the paramete... As one of the most important geometric parameters for a PC-type fiber connector end face, apex offset can contribute to high insertion loss and high back-reflection reading. A novel measurement method for the parameter, connector rotating-π method, is proposed. With the method, the apex offset of a common connector end face is measured. The result is compared with that measured by a Norland 3000 fiber connector end face interferometer. It is found that the difference between two results is 1.8μm. Meantime, the influences of relevant error resources on apex offset measurement under rotating-π method and apex-core method are respectively analyzed, and two error equations are derived. The analytical result shows that, compared with apex-core method, if two additional sub-tilts of axis within and in the direction perpendicular to principal plane caused by its rotation are not bigger than the original axis tilt angle, the max. measurement error will then be reduced by at least 22.5% with rotating-π method. The practicability of the method is confirmed by the experiments. 展开更多
关键词 Apex offset Fiber connector Phase shifting interferometry Algorithm
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On Common Eigenvector of Parametric Interaction Hamiltonian and Number-Difference Operator Derived by Virtue of Entangled State Representation
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作者 FAN Hong-Yi GAO Wei-Bo 《Communications in Theoretical Physics》 SCIE CAS CSCD 2007年第1期139-142,共4页
By virtue of the properties of bipartite entangled state representation we derive the common eigenvector of the parametric Hamiltonian and the two-mode number-difference operator. This eigenvector is superposition of ... By virtue of the properties of bipartite entangled state representation we derive the common eigenvector of the parametric Hamiltonian and the two-mode number-difference operator. This eigenvector is superposition of some definite two-mode Foek states with the coefficients being proportional to hypergeometric functions. The Gauss contiguous relation of hypergeometrie functions is used to confirm the formal solution. 展开更多
关键词 bipartiteentangled state representation number-difference operator hypergeometric functions
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Thermal Quantum Discord in Anisotropic Heisenberg XXZ Model with Dzyaloshinskii-Moriya Interaction 被引量:3
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作者 陈一新 尹志 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第7期60-66,共7页
The thermal quantum discord (QD) is studied in a two-qubit Heisenberg XXZ system with DzyaloshinskiiMoriya (DM) interaction. We compare the thermal QD with thermal entanglement in this system and find remarkable d... The thermal quantum discord (QD) is studied in a two-qubit Heisenberg XXZ system with DzyaloshinskiiMoriya (DM) interaction. We compare the thermal QD with thermal entanglement in this system and find remarkable differences between them. For instance, we show situations where QD decreases asymptotically to zero with temperature T while entanglement decreases to zero at the point of critical temperature, situations where QD decreases with certain tunable parameters such as Dx and Dx when entanglement increases. We find that the characteristic of QD is exotic in this system and this possibly offers a potential solution to enhance entanglement of a system. We also show that tunable parameter Dx is more efficient than parameter Dz in most regions for controlling the QD. 展开更多
关键词 thermal quantum discord Heisenberg XXZ model Dzyaloshinskii-Moriya interaction
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Intraretinal layer segmentation and parameter measurement in optic nerve head region through energy function of spatial-gradient continuity constraint
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作者 CHEN Zai-liang WEI Hao +4 位作者 SHEN Hai-lan PENG Peng YUE Ke-juan LI Jian-feng ZOU Bei-ji 《Journal of Central South University》 SCIE EI CAS CSCD 2018年第8期1938-1947,共10页
For the diagnosis of glaucoma,optical coherence tomography(OCT)is a noninvasive imaging technique for the assessment of retinal layers.To accurately segment intraretinal layers in an optic nerve head(ONH)region,we pro... For the diagnosis of glaucoma,optical coherence tomography(OCT)is a noninvasive imaging technique for the assessment of retinal layers.To accurately segment intraretinal layers in an optic nerve head(ONH)region,we proposed an automatic method for the segmentation of three intraretinal layers in eye OCT scans centered on ONH.The internal limiting membrane,inner segment and outer segment,Bruch’s membrane surfaces under vascular shadows,and interaction of multiple high-reflectivity regions in the OCT image can be accurately segmented through this method.Then,we constructed a novel spatial-gradient continuity constraint,termed spatial-gradient continuity constraint,for the correction of discontinuity between adjacent image segmentation results.In our experiment,we randomly selected 20 B-scans,each annotated three retinal layers by experts.Signed distance errors of?0.80μm obtained through this method are lower than those obtained through the state-of-art method(?1.43μm).Meanwhile,the segmentation results can be used as bases for the diagnosis of glaucoma. 展开更多
关键词 surface segmentation parameter measurement optical coherence tomography optic nerve head spatial-gradient continuity constraints
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Extinction Time of a Metapopulation Driven by Colored Correlated Noises
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作者 李江城 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第1期100-104,共5页
The simplified incidence function model which is driven by the colored correlated noises is employed to investigate the extinction time of a metapopulation perturbed by environments. The approximate Fokker-Planck Equa... The simplified incidence function model which is driven by the colored correlated noises is employed to investigate the extinction time of a metapopulation perturbed by environments. The approximate Fokker-Planck Equation and the mean first passage time which denotes the extinction time (Tex) are obtained by virtue of the Novikov theorem and the Fox approach. After introducing a noise intensity ratio and a dimensionless parameter R = D /α (D and a are the multiplicative and additive colored noise intensities respectively), and then performing numerical computations, the results indicate that: (i) The absolute value of correlation strength A and its correlation time τ3 play opposite roles on the Tex; (ii) For the case of 0 〈λ〈 1,α and its correlation time τ2 play opposite roles on the Tex in which R〉 1 is the best condition, and there is one-peak structure on the Tex - D plot; (iii) For the case of-1 〈 λ≤ 0, D and its correlation time τ1 play opposite roles on the Tex in which R 〈 1 is the best condition and there is one-peak structure on the Tex - τ2 plot. 展开更多
关键词 METAPOPULATION colored correlated noises the extinction time
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Quantum Secure Direct Intercommunication with Superdense Coding and Entanglement Swapping 被引量:1
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作者 HUANG Da-Zu GUO Ying ZENG Gui-Hua 《Communications in Theoretical Physics》 SCIE CAS CSCD 2008年第12期1290-1294,共5页
A quantum secure direct intercommunication scheme is proposed to exchange directly the communicators' secret messages by making ase of swapping entanglement of Bell states. It has great capacity to distribute the sec... A quantum secure direct intercommunication scheme is proposed to exchange directly the communicators' secret messages by making ase of swapping entanglement of Bell states. It has great capacity to distribute the secret messages since these messages have been imposed on high-dimensional Bell states via the local unitary operations with superdense coding. The security is ensured by the secure transmission of the travel sequences and the application of entanglement swapping. 展开更多
关键词 quantum secure direct intercommunication entanglement swapping quantum cryptography
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Dynamics of Entanglement of Qutrit-Qutrit States with Stochastic Dephasing
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作者 马小三 任明凡 +1 位作者 赵光兴 王安民 《Communications in Theoretical Physics》 SCIE CAS CSCD 2011年第8期258-262,共5页
The effect of stochastic dephasing on the dynamics of entanglement of qutrit-qutrit states is investigated by using negativity and bound entanglement defined with realignment criterion, From the analysis, we, find tha... The effect of stochastic dephasing on the dynamics of entanglement of qutrit-qutrit states is investigated by using negativity and bound entanglement defined with realignment criterion, From the analysis, we, find that the time evolution of quantum free entanglement and bound entanglement depends on the fluctuations of the stochastic variables and the parameters of the particular initial states of concern. Our results imply that some qutrits states display both distillability sudden death and entanglement sudden death, while some states do not display distillability sudden death but only entanglement sudden death. 展开更多
关键词 bound entanglement free entanglement stochastic dephasing
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Berry Phase of Composite System Induced by Time-Dependent Interaction
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作者 杨林广 邵彬 邹健 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第4期631-634,共4页
The Berry phase in a composite system induced by the time-dependent interaction is discussed. We choose two coupled spin-1/2 systems as the composite system: one of the subsystems is subjected to a static magnetic fi... The Berry phase in a composite system induced by the time-dependent interaction is discussed. We choose two coupled spin-1/2 systems as the composite system: one of the subsystems is subjected to a static magnetic field, and the coupling parameters between two spins are controllable in time. We show that the time-dependent interaction can induce the Berry phase in a similar way as that a spin-1/2 system (qubit) is driven by an effective time-dependent magnetic field. Furthermore, using two consecutive cycles with opposite directions of both the static magnetic field as well as opposite signs of the coupling parameters, a nontrivial two-qubit unitary transformation purely based on Berry phases can be constructed. 展开更多
关键词 Berry phase time-dependent interaction Dzyaloshinskii-Moriya interaction
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Photodegradation of Alizarin Black S Dye Using Zinc Oxide
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作者 Haydar Mohammad Salim 《Journal of Environmental Science and Engineering(A)》 2015年第8期395-400,共6页
Zinc oxide (ZnO) has been used as heterogeneous catalyst for the degradation of Acid Alizarin Black S dye (AAB) in aqueous solutions using UV light irradiation. Experiments were conducted at various operating para... Zinc oxide (ZnO) has been used as heterogeneous catalyst for the degradation of Acid Alizarin Black S dye (AAB) in aqueous solutions using UV light irradiation. Experiments were conducted at various operating parameters. The operating parameters were amount of catalyst (50 rag, 100 mg and 150 mg), initial concentration of dye (30 mg/L, 50 mg/L and 70 mg/L), the pH of solution (2, 4, 6, 8, l0 and 12) and the UV light intensity (6 watt and 12 watt). The progress of the degradation reaction was monitored spectrophotometrically. It was found that the degradation process of AAB solution was accelerated with increased catalyst dosage and decreased initial concentration of AAB. It was also found that the removal efficiency of AAB significantly depend on pH value of solution. The results show that the degradation percent reaches the highest values with pH close to neutral. The data proved that removal percent of dye decreased when 6 watt lamp used instead of 12 watt lamp. The kinetic study confirmed that photocatalytic degradation of AAB dye follows a pseudo first order reaction rate. 展开更多
关键词 PHOTODEGRADATION DYES ZnO AOPS wastewater.
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Spectroscopic Parameters of X^3∑^-, a^1△, and A^'3△ Electronic States of SO Radical
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作者 Jie-min Wang Heng-qiang Feng +2 位作者 Jin-feng Sun De-heng Shi Zun-lue Zhu 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第5期533-539,I0003,共8页
The potential energy curves (PECs) of three low-lying electronic states (X^3∑, a^1△, and a^3△) of SO radical have been studied by ab initio quantum chemical method. The calcula- tions were carried out with the ... The potential energy curves (PECs) of three low-lying electronic states (X^3∑, a^1△, and a^3△) of SO radical have been studied by ab initio quantum chemical method. The calcula- tions were carried out with the full valence complete active space self-consistent field method followed by the highly accurate valence internally contracted multireference configuration in- teraction (MRCI) approach in combination with correlation-consistent basis sets. Effects of the core-valence correlation and relativistic corrections on the PECs are taken into account. The core-valence correlation correction is carried out with the cc-pCVDZ basis set. The way to consider the relativistic correction is to use the second-order Douglas-Kroll Hamiltonian approximation, and the correction is performed at the level of cc-pV5Z basis set. To obtain more reliable results, the PECs determined by the MRCI calculations are also corrected for size-extensivity errors by means of the Davidson modification (MRCI+Q). These PECs are extrapolated to the complete basis set limit by the two-point energy extrapolation scheme. With these PECs, the spectroscopic parameters are determined. 展开更多
关键词 Spectroscopic parameter Core-valence correlation Relativistic correction EXTRAPOLATION
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Elastic Collisions Between two Ground-State P and D Atoms at Low and Ultralow Temperatures
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作者 施德恒 张金平 +3 位作者 孙金锋 马恒 刘玉芳 朱遵略 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第2期331-338,共8页
The PD(X^3∑^-) interaction potential is constructed using the CCSD(T) theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ω... The PD(X^3∑^-) interaction potential is constructed using the CCSD(T) theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ωe, ωeχe, αe, and Be are of 3.056 99 eV, 3.161 75 eV, 0.142 39 nm, 1701.558 cm^-1, 23.6583 cm^-1, 0.085 99 cm^-1, and 4.3963 cm^-1, respectively, which almost perfectly conform with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Sehrodinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which favorably agree with the experiments. The total and various partial-wave cross sections are calculated for the elastic impact between two ground-state P and D atoms at 1.0 × 10^-12 - 1.0 × 10^-4 a.u. when they approach each other along the PD(X^3∑^-) potential. No shape resonances exist in the total elastic cross sections, though the peaks can be found for each partial wave until l=6. The shape of the total elastic cross sections is dominated by the s partial wave at very low temperatures. Due to the weakness of the shape resonances of each partial wave, they are all passed into oblivion by the strong total elastic cross sections. 展开更多
关键词 elastic scattering total cross section shape resonance molecular constant
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