共查询到20条相似文献,搜索用时 15 毫秒
1.
Pettersson A Koivisto R Lindgren B Lundevall C Royen P Sassenberg U Shi W 《Journal of Molecular Spectroscopy》2000,200(1):65-71
A laser ablation source combined with a time-of-flight mass spectrometer has been constructed. The static electric field in the mass spectrometer gives rise to a first-order Stark effect splitting from which the permanent electric dipole moment of the B(1)Pi state (v = 0) of (90)ZrO is determined and found to be 3.43 +/- 0.07 D. The X(1)Sigma and B(1)Pi states are further investigated and comparisons with the results from ab initio calculations are made. Copyright 2000 Academic Press. 相似文献
2.
The electric dipole moment function of the OH radical in the ground electronic state is constructed for internuclear distances R [0, ]. The electric dipole moment function is represented as a piecewise continuous function satisfying physically exact asymptotes and experimental values of the electric dipole moment and its derivatives for equilibrium positions of nuclei of the radical. The Padé form for the electric dipole moment function of the OH radical is also approximated. Electric dipole moment functions obtained are compared with the results of ab initio calculations. 相似文献
3.
用经典力学和双波量子力学计算了氢原子的固有电偶极矩。双波量子理论算得的结果在经典极限下与经典力学的结果一致。普通量子力学对氢原子Stark效应中表现出来的电偶极矩难以做出很好的解释,因为一个波函数描述的是系综而不是单个粒子。经典力学和双波量子力学可描述单个粒子的行为,对永久电偶极矩的计算和解释显得自然而合理。 相似文献
4.
5.
Using the quark-like model, we have improved the existing deviation between theoretical and experimental values of magnetic dipole moment of deuteron. Based upon Pauli Exclusion Principle, the constituent quarks form a ground state for l = 0. The expectation value of the deuteron magnetic dipole moment operator is determined to be equal to 0.861 597 8μ N in better agreement with the measured value of 0.857 437 6μ N as compared to the shell model calculations. 相似文献
6.
We calculate the W-boson electric dipole moment in the Weinberg-Higgs model in which the Cp violation is mediated by charged Higgs boson exchange and compare our results with other works. 相似文献
7.
W. Zickendraht 《Annalen der Physik》1985,497(2):113-122
A transformation, which brings about the unification of the nuclear collective and single particle models, yields sumrules for the magnetic dipole moments and for the electric quadrupole moments of mirror nuclei. These sumrules are applied to cases, for which the numerical values of these moments are known. 相似文献
8.
We compute the electric dipole moment generated at two-loop for the W-boson in the Weinberg-Higgs model in which the CP violation is mediated by neutral Higgs-boson exchange. We also compare our results with the others relative to the problem in the literature 相似文献
9.
Technical Physics - We consider the realization of rotation of particles with a photoinduced dipole moment in the absence of an external field source. The effects considered here are based on the... 相似文献
10.
采用了密度泛函理论(density functional theory,DFT),在6-311++G(d,p)基组水平上使用B3LYP方法研究外电场(0-0.05a.u.)对于溴甲烷分子的键长、能隙及解离势能面的影响.结果表明:外加电场的方向和大小对于分子结构和解离势能面均有显著的影响.随着负向外电场(Br-C键方向)从0增加到0.05a.u.,C-Br键的键长先减小后增大,C-H键的键长逐渐增加,分子能隙EG逐渐减小,C-Br键的str振动频率逐渐增加而IR振动频率逐渐减小.进一步计算发现:随着正向外电场(C-Br键方向)从0增加到0.03a.u.,溴甲烷分子的势能曲线有所降低,解离势垒逐渐减小.因此,可以通过外电场来控制CH3Br分子的降解. 相似文献
11.
Within the scope of a general tensorial study of the 1000 and 2000 cm−1 polyads of CHD3, we have revisited the ground state of this molecule. Infrared ground state combination differences (GSCD) were calculated from 1746 transitions assigned in the ν3/ν5/ν6 triad of CHD3. A set of 10 ground state parameters has been fitted to 613 GSCD providing an agreement of 0.00014 cm−1 between observed and calculated transitions. This corresponds to an improvement of about one order of magnitude with respect to the previous study, reflecting the quality of the experimental spectrum as well as a strict selection of the data used to fit the parameters. 相似文献
12.
圆柱形电容器中充铯蒸气,测量不同温度下电容量的变化,这变化与铯原子数度成正比。本实验得出铯原子永久电偶极矩edCs>2.4e×10-8cm。 相似文献
13.
Kaito Takahashi 《化学物理学报》2020,33(1):13-22
本文利用局域模研究了“重轻”体系简单分子XH伸缩振动的实验振动光谱. 键偶极方法进一步为实验光谱分析提供了帮助(假设XH伸缩振动的跃迁偶极矩沿着XH键方向排列). 通过局域模和多维简正模对HOD,HND-,HCD,HSD,HPD-和HSiD的XH伸缩振动的理论计算, XH伸缩振动的局部1D图片可以用于分析跃迁偶极矩倾斜角度. 在HOD分子中,OH伸缩振动的跃迁偶极矩远离OH键并且向远离OD键的方向倾斜;在HSD,HND-,HPD-,HCD和HSiD分子中的XH伸缩振动远离OH键,但朝向OD键,表明键偶极近似法不能很好地适用于“重轻体系”分子,重原子X可以影响跃迁偶极矩方向. 利用分子中原子理论分析了偶极矩的变化. 相似文献
14.
The microwave spectrum of m-tolunitrile (3-methylbenzonitrile, m-C6H4CH3CN) has been investigated in the frequency range from 1 to 4 and 8 to 26.5 GHz. The spectra in the two lowest states of internal methyl rotation (m = 0, ±1) were recorded by means of pulsed molecular beam Fourier transform microwave (MB-FTMW) spectrometers. The interpretation of the spectra was based on an asymmetric frame–symmetric top Hamiltonian with inclusion of centrifugal distortion terms and first-order contributions from 14N nuclear quadrupole coupling. A least-squares analysis yielded the rotational constants A = 3295.9103(10) MHz, B = 1199.1188(2) MHz, C = 883.9223(1) MHz, all elements of the nuclear quadrupole coupling tensor χaa = −3.626(1) MHz, χbb = 1.684(1) MHz, χcc = 1.943(1) MHz, and χab = −1.870(3) MHz, as well as the threefold barrier to internal rotation, V3 = 14.2 cm−1, and the angle between the internal rotor axis and the principal moment of inertia a axis, θ = 42.66°, using fixed values for the sixfold barrier term V6 (−11 cm−1) and the moment of inertia of the methyl top Iα (3.16 u Å2). 相似文献
15.
Physics of Atomic Nuclei - One of the alternatives to the Standard Model (SM) of elementary particles is the supersymmetry theories; the electric dipole moment (EDM) of elementary particles can... 相似文献
16.
The microwave spectrum of m-tolunitrile (3-methylbenzonitrile, m-C(6)H(4)CH(3)CN) has been investigated in the frequency range from 1 to 4 and 8 to 26.5 GHz. The spectra in the two lowest states of internal methyl rotation (m = 0, +/-1) were recorded by means of pulsed molecular beam Fourier transform microwave (MB-FTMW) spectrometers. The interpretation of the spectra was based on an asymmetric frame-symmetric top Hamiltonian with inclusion of centrifugal distortion terms and first-order contributions from (14)N nuclear quadrupole coupling. A least-squares analysis yielded the rotational constants A = 3295.9103(10) MHz, B = 1199.1188(2) MHz, C = 883.9223(1) MHz, all elements of the nuclear quadrupole coupling tensor chi(aa) = -3.626(1) MHz, chi(bb) = 1.684(1) MHz, chi(cc) = 1.943(1) MHz, and chi(ab) = -1.870(3) MHz, as well as the threefold barrier to internal rotation, V(3) = 14.2 cm(-1), and the angle between the internal rotor axis and the principal moment of inertia a axis, θ = 42.66 degrees, using fixed values for the sixfold barrier term V(6) (-11 cm(-1)) and the moment of inertia of the methyl top I(alpha) (3.16 u ?(2)). Copyright 2000 Academic Press. 相似文献
17.
Radiofrequency transitions withinK= 2 asymmetry doublets have been observed for the CO2–CO van der Waals complex. A Stark effect measurement on theJ= 2,K= 2 transition provides an electric dipole moment of μ = 0.2493(1) D. Combining this result with the permanent moment of CO, μCO= 0.1098 D, gives a change of moment on complex formation of Δμ = 0.140 D. The sign of Δμ is such that the CO end of the complex is more positive than CO2. The origin of Δμ should not be attributed to any single mechanism, and several different contributions to Δμ are discussed. 相似文献
18.
The 0(0)(0) bands of the ?(2)B(2)-&Xtilde;(2)A(1) and &Btilde;(2)B(1)-&Xtilde;(2)A(1) systems of SrNH(2) were observed at Doppler-limited resolution using a Broida oven source and laser-induced fluorescence detection. A full rotational analysis of both transitions was performed including K(a) levels up to 5 and J levels up to 55. The &Btilde;(2)B(1) state was found to be extensively perturbed and only some of the subbands could be analyzed. The ?(2)B(2) and &Btilde;(2)B(1) states undergo a strong Coriolis-type interaction which results in extremely large spin-rotation splittings in both states, effectively splitting all levels with K(a)(') not equal 0 into two well-separated spin components. Copyright 2000 Academic Press. 相似文献
19.
B. Filsinger P. Gutsche U. Haeberlen N. Weiden 《Journal of magnetic resonance (San Diego, Calif. : 1997)》1997,125(2):280-290
It is argued that the nuclear quadrupole–electric field gradient (EFG) interaction is, in principle, dependent on the presence of a magnetic fieldB. A rough estimate of the size of this effect yields 10−4in fields up to 10 T. However, if the site symmetry of the nucleus in question includes time-reversal symmetry, the linear dependence of the EFG onBvanishes. In diamagnetic compounds, time-reversal symmetry is violated only by the presence of nuclear spins. In such compounds, the dominant dependence of the EFG onBshould be quadratic and should be described by a fourth-rank tensor. In ferro- and antiferromagnetic compounds time-reversal symmetry is strongly violated and a linear dependence of the EFG onB, described by a third-rank tensor, is expected. A search for a magnetic field dependence of the EFG was carried out by measuring the quadrupole coupling constants (QCCs) of the27Al and14N nuclei in corundum and sodium nitroprusside (SNP) by pure NQR, and by NMR in fields of 6.3 and 11 T. These diamagnetic compounds were selected because previous measurements, done in different fields, yielded differing results for the QCCs. A new technique for measuring QCCs by NMR is introduced that circumvents the necessity of precisely orienting the sample crystals. For the QCCs of both the27Al and14N nuclei in corundum and SNP, respectively, a precision of distinctly better than 10−4is reached. The results obtained in 0, 6.3, and 11 T fields fully agree with each other which means that, in fields up to 11 T, any possible field dependence of the QCCs is smaller than 10−4. These results confirm that in diamagnetic compounds a linear dependence of QCCs onBis largely suppressed. 相似文献
20.
The wave function for the ground electron state in a dipole field is obtained based on the variational method. This function allows all the specific features of the examined system to be considered, for example, the impossibility of electron localization on the negative dipole charge. This function is expected to have good accuracy when the dipole moment D 3a
0
e, where a
0 is the Bohr radius and e is the electron charge. 相似文献