检索结果-南通市图书馆

Accurate Analytic Potential Energy Function and Spectroscopic Study for G^1Ⅱg State of Dimer ^7Li2

在线全文

学校读者我要写书评

暂无评论

Communications in Theoretical Physics 2007年第6期47卷 1114-1120页

作者： SHI De-Heng MA Heng SUN Jin-Feng zhu zun-lue College of Physics ＆ Electronic Engineering Xinyang Normal University Xinyang 464000 China College of Physics ＆ Information Engineering Henan Normal University Xinxiang 453007 China

The reasonable dissociation limit for the G^1Ⅱg, state of dimer ^7Li2 is determined. The equilibrium internuclear distance, dissociation energy, harmonic frequency, vibrational zero energy, and adiabatic excitation energy are calculated using a symmetry-adapted-cluster configuration-interactlon method in complete active space in Gaussian03 program package at such numerous basis sets as 6-311 ＋＋G, 6-311 ＋＋G（2df,2pd）, 6-311 ＋＋G（2df, p）, cc-PVTZ, 6- 311＋＋G（3df,3pd）, CEP-121G, 6-311＋＋G（2df, pd）, 6-311＋＋G（d,p）,6-311G（3df,3pd）, D95（3df,3pd）, 6-311＋＋G（3df,2p）, 6-311＋＋G（2df）, 6-311＋＋G（df, pd） D95V＋＋, and DGDZVP. The complete potential energy curves are obtained at these sets over a wide internuclear distance range and have least squares fitted to Murrell-Sorbie function. The conclnsion shows that the basis set 6-311＋＋G（2df, p） is a most suitable one for the G^1Ⅱg state. At this basis set, the calculated spectroscopic constants Te, De, Eo, Re, ωe, ωeXe, ae, and Be are of 3.9523 eV, 0.813 06 eV, 113.56 cm^-1, 0.320 15 nm, 227.96 cm^-1, 1.6928 cm^-1, 0.004 436 cm^-1, and 0.4689 cm^-1, respectively, which are in good agreement with measurements whenever available. The total 50 vibrational levels and corresponding inertial rotation constants are for the first time calculated and compared with available RKR data. And good agreement with measurements is obtained.

关键词： vibrational frequency dissociation energy Li2 ab initio calculations

A Modified Potential Method for Electrons Scattering Total Cross Section Calculations on Several Molecules at 30 ～ 5000 eV： CF4, CCl4, CFCl3, CF2Cl2, and CF3Cl

在线全文

学校读者我要写书评

暂无评论

Communications in Theoretical Physics 2006年第4期45卷 697-701页

作者： MA Heng SHI De-Heng SUN Jin-Feng LIU Yu-Fang zhu zun-lue Department of Physics Henan Normal University Xinxiang 453007 China Department of Foundation the First Aeronautical College of Air Force Xinyang 464000 China

A complex optical model potential modified by the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is employed to calculate the total cross sections （TCS5） for electrons scattering from several molecules （CF4, CCl4, CFCl3, CF2 Cl2, and CF3 Cl） over an incident energy range 30 - 5000 eV using the additivity rule model at Hartre-Fock level. The quantitative TCS5 are compared with those obtained by experiments and other theories wherever available, and good agreement is obtained above 100 eV. It is shown that the modified potential can successfully calculate the TCS5 of electron-molecule scattering over a wide energy range, especially at lower energies.

关键词： total cross section additivity rule atomic and molecular collision

Elastic Scattering Properties of Ultracold Strontium Atoms

在线全文

学校读者我要写书评

暂无评论

Chinese Physics Letters 2011年第12期28卷 110-112页

作者： ZHANG Ji-Cai zhu zun-lue LIU Yu-Fang SUN Jin-Feng College of Physics and Information Engineering Henan Normal UniversityXinxiang 453007 Department of Physics Luoyang Normal CollegeLuoyang 471022

We investigate the elastic scattering properties of strontium atoms at ultracold *** scattering parameters,such as s-wave scattering lengths,effective ranges and p-wave scattering lengths,are calculated for all stable isotope combinations of Sr atoms by the quantal method and semiclassical method,*** agreements are *** scattering parameters are very sensitive to small changes of the reduced *** to the repulsive interisotope and intraisotope s-wave scattering length and large elastic cross sections,84Sr–86Sr mixture is a good candidate to realize Bose–Bose quantum degenerate atomic gases.

关键词： wave Elastic degenerate

S-Wave Scattering Properties for Na-K Cold Collisions

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Physics Letters 2013年第2期30卷 90-93页

作者： ZHANG Ji-Cai zhu zun-lue SUN Jin-Feng LIU Yu-Fang College of Physics and Electronic Engineering Henan Normal UniversityXinxiang 453007 Department of Physics Luoyang Normal CollegeLuoyang 471022

Scattering properties of ultracold atoms are sensitive to the interatomic *** on the accurate triplet least-bound state energy,we calculate the triplet s-wave scattering length for ^(23)Na-^(40)*** scattering length is-814.1^(+29)_(-31.3) a_(0) with a_(0) being the Bohr *** using the mass scaling method,those scattering lengths are also obtained for ^(23)Na-^(41)K and ^(23)Na-^(39)*** degenerate internal state approximation is used to estimate the scattering data of atoms colliding in different spin states.

关键词： potential. states. Scattering

Elastic Scattering of Ultracold ^133Cs and SSRb Atoms in Triplet State

在线全文

学校读者我要写书评

暂无评论

Communications in Theoretical Physics 2007年第6期47卷 1121-1124页

作者： SUN Jin-Feng HU Qiu-Bo zhu zun-lue WANG Xiao-Fei ZHANG Ji-Cai College of Physics and Information Engineering Henan Normal University Xinxiang 453007 China Department of Physics Luoyang Normal College Luoyang 471022 China Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China

Elastic scattering properties of the ultracold interaction for the triplet state of ^133Cs and ^85Rb atoms are studied using two kinds of potentials by the same phase Ф. One is the interpolation potential, and another is Lennard-Jones potential （LJl2,6 ）. The radial Schrodtinger equation is also solved using two computational methods, the semiclassical method （WKB）, and the Numerov method. Our results are found to be in an excellent agreement with the more recent theoretical values. It shows that the two potentials and methods are applicable for studying ultracold collisions between the mixing alkali atoms.

关键词： scattering length the interpolation potential Lennard-Jones potential Numerov method

Analytical Potential Energy Function,Spectroscopic Constants and Vibrational Levels for A^1E_u^+ State of Dimer ~7Li_2

在线全文

学校读者我要写书评

暂无评论

Communications in Theoretical Physics 2007年第12期48卷 1081-1087页

作者： SHI De-Heng~1 MA Heng~1 SUN Jin-Feng~(1,2)and zhu zun-lue~1~1 College of Physics & Information Engineering,Henan Normal University,Xinxiang 453007,China~2 Department of Physics & Electron Science,Luoyang Normal University,Luoyang 471022,China College of Physics & Information Engineering Henan Normal University Xinxiang 453007 China Department of Physics & Electron Science Luoyang Normal University Luoyang 471022 China

The symmetry-adapted-duster configuration-interaction method is used to investigate the spectroscopicproperties of ~7Li_2(A^1∑_u^+) over the internuclear distance ranging from 2.4ao to *** complete potential energycurves are calculated at numbers of basis *** the ab initio calculated points are fitted to the analytic MurrellSorbie function and then employed to compute the spectroscopic *** comparison,the spectroscopic constantsreproduced by the potential attained at D95(3df,3pd) are found to be very close to the experiments,a^d the values (T_e,D_e,R_e,ω_e,ω_eχ_e,α_e and B_e) are of 1.732 93 eV,1.161 36 eV,0.313 27 nm,251.95 cm^(-1),1.623 cm^(-1),0.005 35 cm^(-1),and0.490 cm^(-1),*** the potential obtained at D95(3df,3pd),the totally 75 vibrational states are found whenJ=*** vibrational levels,the classical turning points and the inertial rotation constants of the first 68 vibrationalstates are calculated for the first time and compared with the available *** agreement is *** centrifugal distortion constants of the first 32 vibrational states are also reported for the first *** reasonabledissociation limit for ~7Li_2(A^1∑_u^+) is deduced using the calculated results at present.

关键词： analytic potential energy function harmonic frequency dissociation energy vibrational level classical turning point

~7Li_2分子2~3Σ_g^+激发态的解析势能函数、谐振频率及振动能级

在线全文

学校读者我要写书评

暂无评论

物理学报 2007年第4期56卷 2085-2091页

作者：施德恒孙金锋马恒朱遵略信阳师范学院物理电子工程学院信阳464000 河南师范大学物理与信息工程学院新乡453007

使用Gaussian03程序包中的“对称性匹配簇/对称性匹配簇-组态相互作用”方法,利用多个基组对7Li2分子23Σg+态的平衡几何进行了优化计算.同时,在优化得到的平衡位置附近、于同一条件下通过精细的单点能扫描,获得了相应基组下的平衡核间... 详细信息

使用Gaussian03程序包中的“对称性匹配簇/对称性匹配簇-组态相互作用”方法,利用多个基组对7Li2分子23Σg+态的平衡几何进行了优化计算.同时,在优化得到的平衡位置附近、于同一条件下通过精细的单点能扫描,获得了相应基组下的平衡核间距.发现两者的结果不一致,对不一致的原因进行了解释.分析表明,由单点能扫描得到的平衡核间距应更为合理.同时也得出了6-311++G(3df,3pd),6-311++G(2df,2pd)及6-311++G(2df,pd)基组均为较优基组的结论.于2.5a0—37a0的范围内利用6-311++G(3df,3pd)基组进行单点能扫描并使用最小二乘法拟合出了该态的解析势能函数.利用解析势能函数的物理意义并结合Rydberg-Klein-Rees方法,计算出了其相应的谐振频率,进而计算了其他光谱常数.为便于比较和分析,对基态也进行了相应的计算.利用得到的解析势能函数,对23Σg+态的振动能级及振动经典转折点也进行了计算.

关键词：势能函数谐振频率振动能级 Murrell-Sorbie函数

在线全文

学校读者我要写书评

暂无评论

一种被动式辐射测温系统的波长及其带宽设计

光学技术 2006年第3期32卷 440-443,448页

作者：刘玉芳施德恒朱遵略河南师范大学物理系河南新乡453007 空军第一航空学院基础部河南信阳464000

介绍了采用PIN硅光电二极管作光接收器件实现的一种被动式实时测温系统.该系统主要由光学接收系统、信号放大与处理系统及显示系统三部分组成.从系统的相对测温灵敏度及探测器的温度分辨力与波长间的关系出发,结合大气对红外辐射的透射... 详细信息

介绍了采用PIN硅光电二极管作光接收器件实现的一种被动式实时测温系统.该系统主要由光学接收系统、信号放大与处理系统及显示系统三部分组成.从系统的相对测温灵敏度及探测器的温度分辨力与波长间的关系出发,结合大气对红外辐射的透射特性,确定了系统的工作波长;从系统的抗反射辐射能力出发,并结合探测器的最小可探测光功率要求,确定了系统的波长带宽.从P1、P2的测量不确定度出发,讨论了待测目标的发射率及温度的测量精度.结果表明,当λ=0.80μm、Δλ=20nm时,在测温范围600～2500℃内,系统的测温不确定度优于0.3%,满足设计要求.

关键词：计量学辐射测温发射率测温不确定度 Kirhhoff定律

在线全文

学校读者我要写书评

暂无评论

PS自由基X^2Π态的势能曲线和光谱性质

物理学报 2013年第20期62卷 160-165页

作者：刘慧邢伟施德恒孙金锋朱遵略信阳师范学院物理电子工程学院信阳464000 河南师范大学物理与信息工程学院新乡453007

采用Davidson修正的内收缩多参考组态相互作用方法(icMRCI+Q)结合Dunning等的相关一致基计算了PS自由基X2Π态势能曲线.利用三阶Douglas-Kroll Hamilton近似结合cc-pV5Z相对论收缩基进行了相对论修正计算.利用aug-cc-pCV5Z基组对势能曲... 详细信息

采用Davidson修正的内收缩多参考组态相互作用方法(icMRCI+Q)结合Dunning等的相关一致基计算了PS自由基X2Π态势能曲线.利用三阶Douglas-Kroll Hamilton近似结合cc-pV5Z相对论收缩基进行了相对论修正计算.利用aug-cc-pCV5Z基组对势能曲线进行了核价相关修正计算,并将总能量外推至完全基组极限.拟合得到了X2Π态的主要光谱常数Re,ωe,ωexe,ωeye,Be,αe和De,与实验结果符合较好.利用Breit-Pauli算符,研究了旋轨耦合效应对势能曲线的影响,得到了两条态的势能曲线.详细分析了在旋轨耦合计算中,核电子相关与冻结核近似对电子结构和光谱性质的影响.在icMRCI+Q/56+DK+CV+SO理论水平上得到了两个态的主要光谱常数Te,Re,ωe,ωexe,ωeye,Be和αe,结果与实验结果一致.在平衡位置处,本文的X2Π态旋轨耦合能量分裂值为323.73 cm 1,与实验结果321.93 cm 1较为一致.通过求解双原子分子核运动的径向Schrdinger方程,找到了无转动PS自由基X2Π态及其两个态的全部振动态,还分别计算了它们相应的振动能级和惯性转动常数等分子常数,这些结果与已有的实验值一致.

关键词：势能曲线光谱常数分子常数旋轨耦合