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基于虚拟同步发电机的逆变电源控制策略研究 被引量:18
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作者 徐湘楚 朱凌 郭本峰 《电测与仪表》 北大核心 2015年第2期80-84,共5页
针对采用常规下垂控制方法的逆变电源存在稳定时电压和频率的偏移,不能完全满足电网运行要求的问题,采用了一种新的逆变电源控制方法即虚拟同步发电机(VSG)控制策略。建立了虚拟同步发电机的模型,参考同步发电机控制理论,重点设计了功... 针对采用常规下垂控制方法的逆变电源存在稳定时电压和频率的偏移,不能完全满足电网运行要求的问题,采用了一种新的逆变电源控制方法即虚拟同步发电机(VSG)控制策略。建立了虚拟同步发电机的模型,参考同步发电机控制理论,重点设计了功频控制器和励磁控制器,搭建了以大容量汽轮发电机模拟电网的逆变器并网发电系统。通过Matlab/Simulink仿真验证了虚拟同步发电机中转动惯量的作用和虚拟同步发电机的并网调节特性,仿真结果表明,基于虚拟同步发电机的逆变电源在外特性上近似等效为一个同步发电机,具有良好的调频调压性能,能很好地适应电网的运行要求。 展开更多
关键词 虚拟同步发电机 转动惯量 功频控制器 励磁控制器 调频调压
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长期极移的成因 被引量:11
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作者 宋贯一 《地球物理学进展》 CSCD 北大核心 2008年第4期1063-1070,共8页
依据宋贯一等(2006)发表的"极移的成因及其移动特征"一文中的研究成果,对其中极移反向(由东向西)运动的时间分布进一步研究得知:在地球公转所处的四季位置中,自转极(北极)反向运动时间仅发生在当年的11月1日(立冬日为11月7、8... 依据宋贯一等(2006)发表的"极移的成因及其移动特征"一文中的研究成果,对其中极移反向(由东向西)运动的时间分布进一步研究得知:在地球公转所处的四季位置中,自转极(北极)反向运动时间仅发生在当年的11月1日(立冬日为11月7、8日)到第二年的2月15日(立春日为2月4、5日)这一段时间之内;其它时间(季节)均为自转极正向(由西向东)运动时段.对比冬至日前后和夏至日前后极移的运动方向可知,它们相对太阳的运动方向虽然相反,由于它们分别处在轨道的东、西方向的两侧,从空间上看来,它们的运动方向却是一致的(即都是向自转极以西运动).基于上述原因,经过一个回归年的太阳光压激发之后,极移运动轨迹的年平均位置向CIO(国际极点)的西侧移动了.在下一个周年期激发时段,上述现象将在上一回归年极移年平均位置的基础上继续进行,逐年累积即形成长期极移.这就是周年期激发机制引起的长期极移及观测的极移运动轨迹均落在CIO西侧的原因. 展开更多
关键词 自转极 极移 极移的正、反向运动 激发机制 长期极移
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He和D_2分子相互作用转动激发研究 被引量:6
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作者 张茹 刘刚 《原子与分子物理学报》 CAS CSCD 北大核心 2001年第4期457-459,共3页
用T .T(K .T .TangandJ .Peter.Toennies)势模型和公认精密度较高的密耦 (Close Coupling)近似方法计算了E =0 .1eV和E =0 .2eV时 ,0 0— 0 0弹性碰撞及 0 0— 0 2、0 0— 0 4、0 0— 0 6非弹性碰撞 ,得出D2 分子转动激发分波截面 ,并... 用T .T(K .T .TangandJ .Peter.Toennies)势模型和公认精密度较高的密耦 (Close Coupling)近似方法计算了E =0 .1eV和E =0 .2eV时 ,0 0— 0 0弹性碰撞及 0 0— 0 2、0 0— 0 4、0 0— 0 6非弹性碰撞 ,得出D2 分子转动激发分波截面 ,并得到了原子与分子碰撞弹性分波截面和非弹性激发截面随量子数增加的变化规律。 展开更多
关键词 转动激发 分波截面 密耦方法 分子物理学 相互作用 氦分子 D2 碰撞 波函数
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Shape Decoupling Effects and Rotation of Deformed Halo Nuclei
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作者 SUN Xiangxiang ZHOU Shangui 《原子核物理评论》 CAS CSCD 北大核心 2024年第1期75-85,共11页
With the development of radioactive-ion-beam facilities,many exotic phenomena have been discovered or predicted in the nuclei far from the stability line,including cluster structure,shell structure,deformed halo,and s... With the development of radioactive-ion-beam facilities,many exotic phenomena have been discovered or predicted in the nuclei far from the stability line,including cluster structure,shell structure,deformed halo,and shape decoupling effects.The study of exotic nuclear phenomena is at the frontier of nuclear physics nowadays.The covariant density functional theory(CDFT)is one of the most successful microscopic models in describing the structure of nuclei in almost the whole nuclear chart.Within the framework of CDFT,toward a proper treatment of deformation and weak binding,the deformed relativistic Hartree-Bogoliubov theory in continuum(DRHBc)has been developed.In this contribution,we review the applications and extensions of the DRHBc theory to the study of exotic nuclei.The DRHBc theory has been used to investigate the deformed halos in B,C,Ne,Na,and Mg isotopes and the theoretical descriptions are reasonably consistent with available data.A DRHBc Mass Table Collaboration has been founded,aiming at a high precision nuclear mass table with deformation and continuum effects included,which is underway.By implementing the angular momentum projection based on the DRHBc theory,the rotational excitations of deformed halos have been investigated and it is shown that the deformed halos and shape decoupling effects also exist in the low-lying rotational excitation states of deformed halo nuclei. 展开更多
关键词 exotic nuclei deformed halo shape decoupling effect nuclear mass rotational excitation density functional theory
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Studies on Excitation and Rotational Temperatures of an Oxygen-shielded Argon Microwave Plasma Torch Source 被引量:3
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作者 WANG Shu-hua LI Guo-zhen +1 位作者 ZHOU Jian-guang JIN Qin-han 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2006年第5期560-565,共6页
Excitation( Texc ) and rotation( Trot ) temperatures were determined under different conditions for an oxygen-shielded argon microwave plasmsa torch source(OS-Ar-MPT). The Texc value, which was shown to be betwe... Excitation( Texc ) and rotation( Trot ) temperatures were determined under different conditions for an oxygen-shielded argon microwave plasmsa torch source(OS-Ar-MPT). The Texc value, which was shown to be between 4300 and 5250 K under different operating conditions, was calculated from the slope of the Boltzmann plot with Fe as the thermometric species. The Trot value, which was in the range of 2100-2500 K, was measured with OH molecular spectra. The influences of microwave power, flow rates of the support gas, cartier gas, and shielding gas, as well as the observation height on Texc and Trot were investigated and discussed. The detailed results of Texc and Trot provided a better understanding of the performance of an OS-ArMPT as a source for atomic emission spectrometry. 展开更多
关键词 Microwave plasma torch (MPT) excitation temperature rotational temperature
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变形核中的晕现象与形状退耦合
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作者 孙向向 周善贵 《核技术》 CAS CSCD 北大核心 2023年第8期139-147,共9页
随着放射性核束物理的快速发展,在远离β稳定线的原子核中发现或者预言了很多奇特核结构现象,包括变形晕、变形晕核中形状退耦合等。对这些奇特核现象的研究是当前核物理的重要前沿领域。协变密度泛函理论是目前最为成功的用于描述原子... 随着放射性核束物理的快速发展,在远离β稳定线的原子核中发现或者预言了很多奇特核结构现象,包括变形晕、变形晕核中形状退耦合等。对这些奇特核现象的研究是当前核物理的重要前沿领域。协变密度泛函理论是目前最为成功的用于描述原子核结构性质的理论模型之一。本文介绍基于协变密度泛函理论对变形晕核研究的结果和进展。考虑连续谱效应的形变相对论Hartree-Bogoliubov理论实现了变形晕核的微观自洽描述并预言了镁-44中的变形晕和核芯与晕的形状退耦合现象。之后,该理论还被用于研究硼和碳等同位素链原子核中的变形晕现象。基于该理论的角动量投影计算表明:在变形晕核的低激发转动态中依然存在晕现象以及形状退耦合现象。 展开更多
关键词 协变密度泛函理论 变形晕核 形状退耦合 转动激发
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不同能量的氦原子与氢的非对称同位素替代分子碰撞分波截面理论计算 被引量:4
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作者 周晓林 李德华 +1 位作者 冯一兵 杨向东 《四川师范大学学报(自然科学版)》 CAS CSCD 2004年第4期387-390,共4页
用密耦方程(Closecouplingequation)研究和计算了氦与氢的非对称同位素替代分子HD碰撞.当入射氦原子能量分别为0.05、0.15eV和0.25eV时,考虑到非对称同位素替代时质心偏移量对势能函数的影响,计算了弹性碰撞激发00 00分波和非弹性碰撞激... 用密耦方程(Closecouplingequation)研究和计算了氦与氢的非对称同位素替代分子HD碰撞.当入射氦原子能量分别为0.05、0.15eV和0.25eV时,考虑到非对称同位素替代时质心偏移量对势能函数的影响,计算了弹性碰撞激发00 00分波和非弹性碰撞激发00 01、00 02分波截面. 展开更多
关键词 非对称同位素替代分子 分波截面 转动激发
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He-HBr碰撞体系各向异性相互作用势及微分散射截面的研究 被引量:4
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作者 余春日 黄时中 +1 位作者 汪荣凯 杨向东 《中国科学技术大学学报》 CAS CSCD 北大核心 2007年第3期255-259,共5页
基于在CCSD(T)/aug-cc-p VQZ理论水平下计算的He-HBr相互作用能数据,尝试用Huxley解析势函数构造了He原子与HBr分子相互作用的各向异性势模型;然后采用精确的量子密耦方法计算了碰撞能量为200 meV时,He原子和HBr分子碰撞的微分截面,获... 基于在CCSD(T)/aug-cc-p VQZ理论水平下计算的He-HBr相互作用能数据,尝试用Huxley解析势函数构造了He原子与HBr分子相互作用的各向异性势模型;然后采用精确的量子密耦方法计算了碰撞能量为200 meV时,He原子和HBr分子碰撞的微分截面,获得了该碰撞体系的弹性微分截面和态-态转动激发微分截面随散射角变化的规律.研究表明:构造的势模型较好地描写了He-HBr系统相互作用的各向异性特征,对进一步研究原子与分子的相互作用有一定的参考价值. 展开更多
关键词 Huxley势模型 密耦方法 转动激发 微分散射截面
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利用密耦法对惰性元素原子与双原子分子转动激发截面的理论研究 被引量:4
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作者 徐梅 令狐荣锋 +1 位作者 汪荣凯 杨向东 《四川大学学报(自然科学版)》 CAS CSCD 北大核心 2006年第4期855-858,共4页
作者运用密耦近似方法,计算了能量在64.0meV下,He原子和基态N2分子碰撞的态-态转动激发微分截面和入射能量分别在27.3meV,40.0meV,64.0meV和80.0meV下的弹性、非弹性和总微分截面;总结了该碰撞体系微分散射截面的变化规律.研究表明:在... 作者运用密耦近似方法,计算了能量在64.0meV下,He原子和基态N2分子碰撞的态-态转动激发微分截面和入射能量分别在27.3meV,40.0meV,64.0meV和80.0meV下的弹性、非弹性和总微分截面;总结了该碰撞体系微分散射截面的变化规律.研究表明:在低能散射时,弹性散射主要发生在小角部分,转动激发非弹性散射主要发生在大角部分. 展开更多
关键词 密耦近似 转动激发 散射截面
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Energy and rotation-dependent stereodynamics of H(~2S) + NH(a^1?) → H_2(X^1Σ_g^+) + N(~2D) reaction
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作者 李永庆 杨云帆 +2 位作者 于洋 张永嘉 马凤才 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第2期135-142,共8页
Quasi-classical trajectory calculations are performed to study the stereodynamics of the H(~2S) + NH(a^1?) →H_2(X^1Σ_g~+) + N(~2D) reaction based on the first excited state NH_2(1~2A') potential energ... Quasi-classical trajectory calculations are performed to study the stereodynamics of the H(~2S) + NH(a^1?) →H_2(X^1Σ_g~+) + N(~2D) reaction based on the first excited state NH_2(1~2A') potential energy surface reported by Li et al.[Li Y Q and Varandas A J C 2010 J. Phys. Chem. A 114 9644] for the first time. We observe the changes of differential cross-sections at different collision energies and different initial reagent rotational excitations. The influence of collision energy on the k-k' distribution can be attributed to a purely impulsive effect. Initial reagent rotational excitation transforms the reaction mechanism from insertion to abstraction. The effect of initial reagent rotational excitations on k-k' distribution can be explained by the rotational excitation enlarging the rotational rate of reagent NH in the entrance channel to reduce the probability of collision between incidence H atom and H atom of target molecular. We also investigate the changes of vector correlations and find that the rotational angular momentum vector j' of the product H_2 is not only aligned, but also oriented along the y axis. The alignment parameter, the disposal of total angular momentum and the reaction mechanism are all analyzed carefully to explain the polarization behavior of the product rotational angular moment. 展开更多
关键词 differential cross section STEREODYNAMICS rotational excitation rotational polarization Vector cor- relation
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Effect of ro-vibrational excitation of NeH^+ on the stereodynamics for the reactions H+NeH^+(v=1-3,j=1,3,5) →H_2^++Ne
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作者 尹淑慧 邹静涵 +4 位作者 郭明星 李磊 许雪松 高宏 车丽 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第2期524-530,共7页
The stereodynamics of the abstraction reaction H^+ NeH^+(v = 1-3,j = 1,3,5) → H2^+ + Ne is studied theoretically with a quasi-classical trajectory method on a new ab initio potential energy surface [ S J,Zhang ... The stereodynamics of the abstraction reaction H^+ NeH^+(v = 1-3,j = 1,3,5) → H2^+ + Ne is studied theoretically with a quasi-classical trajectory method on a new ab initio potential energy surface [ S J,Zhang P Y,Han K L and He G Z 2012 J.Chem.Phys.132 014303].The effects of vibrational and rotational excitation of reagent molecules on the polarization of the product are investigated.The reaction cross sections,the distributions of P(θr),P(φr),and polarizationdependent differential cross sections(PDDCSs) are calculated.The obtained cross sections indicate that the title reaction is a typical barrierless atom(ion)-ion(molecule) reaction.The initial vibrational excitation and rotational excitation of reagent molecules have distinctly different influences on stereodynamics of the title reaction,and the possible reasons for the differences are presented. 展开更多
关键词 STEREODYNAMICS quasi-classical trajectory POLARIZATION vibrational excitation rotational excitation
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The stereodynamic properties of the F+HO(v,j) → HF+O reaction on^1 A' and ~3A' potential energy surfaces by quasi-classical trajectory calculations:Initial excitation effect(v=1-3, j=0 and v= 0, j=1-3)
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作者 赵丹 楚天舒 郝策 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第6期330-337,共8页
The stereodynamic properties of the F + HO (v, j) reaction are explored by quasi-classical trajectory (QCT) calculations performed on the 1At and 3At potential energy surfaces (PESs). Based on the polarization-... The stereodynamic properties of the F + HO (v, j) reaction are explored by quasi-classical trajectory (QCT) calculations performed on the 1At and 3At potential energy surfaces (PESs). Based on the polarization-dependent differential cross sections (PDDCSs) and the angular distributions of the product angular momentum with the reactant at different values of initial v or j, the results show that the product scattering and product polarization have strong links with initial vibrationalrotational numbers of v and j. The significant manifestation of the normal DCSs is that the forward scattering gradually becomes predominant with the initial vibrational excitation increasing, and the scattering angle of the HF product taking place on the 3At potential energy surface is found to be more sensitive to the initial value of v. The product orientation and alignment are strongly dependent on the initial rovibrational excitation effect. With enhancement in the initial rovibrational excitation effect, there is an overall decrease in the product orientation as well as in the product alignment either perpendicular to the reagent relative velocity vector k or along the direction of the y axis, for which the initial rotational excitation effect is much more noticeable than the vibrational excitation effect. Moreover, the initial rovibrational excitation effect on the product polarization is more pronounced for the 3At potential energy surface than for the 1At potential energy surface. 展开更多
关键词 STEREODYNAMICS quasi-classical trajectory rotational excitation vibrational excitation
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He-H_2碰撞转动激发截面的理论计算 被引量:3
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作者 赵仪 袁相津 《西北师范大学学报(自然科学版)》 CAS 1991年第3期25-29,共5页
首先在IOSA(Infinite-Order-Sudden-Approximation)方法中利用WKB近似方法代替Nemerov方法计算相移,然后对He与转动能层较大的H_2分子碰撞总的、弹性和转动激发积分散射截面进行了计算。结果表明,用此方法所计算总的和弹性散射截面的值... 首先在IOSA(Infinite-Order-Sudden-Approximation)方法中利用WKB近似方法代替Nemerov方法计算相移,然后对He与转动能层较大的H_2分子碰撞总的、弹性和转动激发积分散射截面进行了计算。结果表明,用此方法所计算总的和弹性散射截面的值与较准确的CC(Close-Coupling)方法得出值符合得很好,对非弹性散射截面,当取适当k值时,结果令人满意。 展开更多
关键词 HE 碰撞 转动激发截面 原子-分子
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The effect of the rotational excitation of NO on the stereodynamics for the reaction C(~3P)+NO(X^2Π)→CN(X^2Σ^+)+O(~3P) 被引量:1
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作者 马建军 邹勇 刘厚通 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第6期338-343,共6页
The stereodynamic properties of the reaction C (^3P) + NO (X2^П) →CN (X^2∑^+) + O (^3P) in different rotational states of reactant NO are studied theoretically by using the quasiclassical trajectory met... The stereodynamic properties of the reaction C (^3P) + NO (X2^П) →CN (X^2∑^+) + O (^3P) in different rotational states of reactant NO are studied theoretically by using the quasiclassical trajectory method on ^2A″ and ^2A′ potential energy surfaces (PESs) at a collision energy of 0.06 eV. The vector properties in different rotational states on the two surfaces are discussed in detail. The results indicate that the rotational excitation of NO has considerable influence on the stereodynamic property of the reaction occurring on the two surfaces. At the same time, the calculated polarization-dependent differential cross sections (PDDCSs) in different initial rotational states manifest that products are strongly polarized at three scattering angles. 展开更多
关键词 quasiclassical trajectory vector correlation rotational excitation
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Rotating deformed halo nuclei and shape decoupling effects 被引量:2
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作者 Xiang-Xiang Sun Shan-Gui Zhou 《Science Bulletin》 SCIE EI CSCD 2021年第20期2072-2078,M0003,共8页
To explore the rotational excitation of deformed halo nuclei,the angular momentum projection(AMP)has been implemented in the deformed relativistic Hartree-Bogoliubov theory in continuum(DRHBc),in which both the mean f... To explore the rotational excitation of deformed halo nuclei,the angular momentum projection(AMP)has been implemented in the deformed relativistic Hartree-Bogoliubov theory in continuum(DRHBc),in which both the mean field and collective wave functions are expanded in terms of Dirac WoodsSaxon basis.The DRHBc+AMP approach self-consistently describes the coupling between single particle bound states and the continuum not only in the ground state but also in rotational states.The rotational modes of deformed halos in ^(42,44)Mg are investigated by studying properties of rotational states such as the excitation energy,configuration,and density distribution.Our study demonstrates that the deformed halo structure persists from the ground state in the intrinsic frame to collective states.Especially,the typical behavior of shape decoupling effects in rotating deformed halo nuclei is revealed. 展开更多
关键词 Density functional theory Beyond mean field method rotational excitation Deformed halo nuclei Shape decoupling effects
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He-O_2转动激发截面的理论计算 被引量:2
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作者 彭勇 孙桂华 谢方军 《原子与分子物理学报》 CAS CSCD 北大核心 2000年第4期681-685,共5页
用公认精确的密耦 (Close Coupling)方法、采用两种不同的相互作用势计算了He -O2 碰撞的态 态转动激发截面 (E =2 6.8meV) ,通过系统研究和计算发现 :低能散射时 ,He -O2 碰撞的弹性散射主要发生在小角部分 ,而非弹性转动激发主要发... 用公认精确的密耦 (Close Coupling)方法、采用两种不同的相互作用势计算了He -O2 碰撞的态 态转动激发截面 (E =2 6.8meV) ,通过系统研究和计算发现 :低能散射时 ,He -O2 碰撞的弹性散射主要发生在小角部分 ,而非弹性转动激发主要发生在大角部分。研究表明 :转动激发截面对势能表面的方向性和散射角都非常敏感。 展开更多
关键词 转动激发 原子 双原子分子 He-O2碰撞体系
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Effects of Vibrational and Rotational Excitations on Dissociative Chemisorption Dynamics of N_(2) on Fe(111)
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作者 Huixia Shi Tianhui Liu +3 位作者 YanlinFu Hao Wu Bina Fu Dong HZhang 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第3期443-450,I0001,I0002,共10页
The dissociative chemisorption of N_(2) is the rate-limiting step for ammonia synthesis in industry.Here,we investigated the role of initially vibrational excitation and ro-tational excitation of N_(2) for its reactiv... The dissociative chemisorption of N_(2) is the rate-limiting step for ammonia synthesis in industry.Here,we investigated the role of initially vibrational excitation and ro-tational excitation of N_(2) for its reactivity on the Fe(111)surface,based on a recently developed six-dimensional potential energy surface.Six-dimensional quantum dynamics study was carried out to investi-gate the effect of vibrational excitation for incidence energy below 1.6 eV,due to sig-nificant quantum effects for this reaction.The effects of vibrational and rotational excitations at high incidence energies were revealed by quasiclassical trajectory calculations.We found that raising the translational energy can enhance the dissociation probability to some extent,however,the vibrational excitation or rotational excitation can promote disso-ciation more efficiently than the same amount of translational energy.This study provides valuable insight into the mode-specific dynamics of this heavy diatom-surface reaction. 展开更多
关键词 Quantum dynamics Quasiclassical trajectory Dissociative chemisorption Vi-brational excitation rotational excitation
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Characteristics of Low Power CH_4/Air Atmospheric Pressure Plasma Jet
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作者 张军 肖德志 +5 位作者 方世东 舒兴胜 左潇 程诚 孟月东 王守国 《Plasma Science and Technology》 SCIE EI CAS CSCD 2015年第3期202-208,共7页
A low power atmospheric pressure plasma jet driven by a 24 kHz AC power source and operated with a CH4/air gas mixture has been investigated by optical emission spectrometer. The plasma parameters including the electr... A low power atmospheric pressure plasma jet driven by a 24 kHz AC power source and operated with a CH4/air gas mixture has been investigated by optical emission spectrometer. The plasma parameters including the electron excitation temperature, vibrational temperature and rotational temperature of the plasma jet at different discharge powers are diagnosed based on the assumption that the kinetic energy of the species obeys the Boltzmann distribution. The electron density at different power is also investigated by HS Stark broadening. The results show that the plasma source works under non-equilibrium conditions. It is also found that the vibrational temperature and rotational temperat;ure increase with discharge power, whereas the electron excitation temperature seems to have a downward trend. The electron density increases from 0.8×10^21 m^-3 to 1.1×10^21 m^-3 when the discharge power increases from 53 W to 94 W. 展开更多
关键词 atmospheric pressure plasma jet optical emission spectroscopy rotational temperature vibrational temperature excitation temperature electron density
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Geometric Models of Atomic Nuclei
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作者 Gábor Bihari 《World Journal of Nuclear Science and Technology》 2017年第3期206-222,共17页
While experimenting with the more and more popular neodymium magnetic ball sets, the author developed a method, by which models of atomic nuclei can be created. These macroscopic models visually represent several feat... While experimenting with the more and more popular neodymium magnetic ball sets, the author developed a method, by which models of atomic nuclei can be created. These macroscopic models visually represent several features of nuclei and nuclear phenomena, which can be a useful mean during the teaching of nuclear physics. Even though such macroscopic models are unable to depict the true quantum physical nature of nuclear processes, they can be much more useful didactically than the previously used disordered sets of balls, to represent the atomic nucleus. 展开更多
关键词 Nuclear MODEL Magnetic Ball rotational SYMMETRY 4-Fold SYMMETRY MAGIC Number Shell-Orbit Structure DEFORMED State Cluster MODEL COLLECTIVE excitation
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NH_3-Ar转动激发的半经典理论计算 被引量:1
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作者 杨本会 丁世良 林圣路 《分子科学学报》 CAS CSCD 1998年第2期6-11,共6页
半经典方法以其优越于纯量子力学方法的特性特别适用于大分子散射的研究.将氨分子看作一个刚性转子,不考虑它的反演运动.体系的自由度用经典的作用量———角变量来描述,利用修正的abinitio势在两种不同的能量条件下计算了... 半经典方法以其优越于纯量子力学方法的特性特别适用于大分子散射的研究.将氨分子看作一个刚性转子,不考虑它的反演运动.体系的自由度用经典的作用量———角变量来描述,利用修正的abinitio势在两种不同的能量条件下计算了NH3—Ar散射体系转动激发的态-态跃迁的积分散射截面.计算结果与密耦合计算结果以及实验结果符合得较好,从而说明该半经典方法适用于NH3—Ar散射体系. 展开更多
关键词 半经典方法 A-A变量 转动激发 积分散射截面
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