Analytic matrix elements of the dipole moment and Herman-Wallis coefficients

1994 ◽  
Vol 15 (1) ◽  
pp. 131-142 ◽  
Author(s):  
F. M. Fern�ndez ◽  
J. F. Ogilvie
2017 ◽  
Vol 31 (04) ◽  
pp. 1750027 ◽  
Author(s):  
Andrey V. Soldatov

It is shown that a two-level quantum system possessing dipole moment operator with permanent non-equal diagonal matrix elements and driven by external semiclassical monochromatic high-frequency electromagnetic (EM) (laser) field can amplify EM radiation waves of much lower frequency.


1977 ◽  
Vol 32 (8) ◽  
pp. 897-898 ◽  
Author(s):  
Y. K. Chan ◽  
B. S. Rao

Abstract The radial Schrödinger wave equation with Morse potential function is solved for HF molecule. The resulting vibration-rotation eigenfunctions are then used to compute the matrix elements of (r - re)n. These are combined with the experimental values of the electric dipole matrix elements to calculate the dipole moment coefficients, M 1 and M 2.


2018 ◽  
Vol 175 ◽  
pp. 01014 ◽  
Author(s):  
Boram Yoon ◽  
Tanmoy Bhattacharya ◽  
Rajan Gupta

For the neutron to have an electric dipole moment (EDM), the theory of nature must have T, or equivalently CP, violation. Neutron EDM is a very good probe of novel CP violation in beyond the standard model physics. To leverage the connection between measured neutron EDM and novel mechanism of CP violation, one requires the calculation of matrix elements for CP violating operators, for which lattice QCD provides a first principle method. In this paper, we review the status of recent lattice QCD calculations of the contributions of the QCD Θ-term, the quark EDM term, and the quark chromo-EDM term to the neutron EDM.


1968 ◽  
Vol 46 (17) ◽  
pp. 1973-1974 ◽  
Author(s):  
Gabriel Karl

A formula is proposed to represent the J dependence of radial matrix elements of the electric dipole moment of HD.


1978 ◽  
Vol 56 (1) ◽  
pp. 75-81 ◽  
Author(s):  
R. H. Tipping ◽  
J. D. Poll ◽  
A. R. W. McKellar

The influence of intracollisional interference on the dipole spectrum of pure HD is investigated within the framework of an adiabatic separation of the relative translational motion and non-mixing of rotational levels. The effect leads to a density dependence of the integrated intensities for the sharp spectral lines. It is found that the large discrepancy between the theoretical and experimental pure rotational dipole moment matrix elements for HD reported in the literature can be interpreted as destructive interference between the allowed and the collision-induced dipoles. Similar calculations for the fundamental band are in excellent agreement with the experimental results for the R1(1) line, but agree less well for the R1(0) line. We interpret this, as well as the asymmetrical line shape, as evidence of rotational level mixing due to anisotropic intermolecular forces.


1960 ◽  
Vol 13 (1) ◽  
pp. 49 ◽  
Author(s):  
RD Brown ◽  
ML Heffernan

Results of a VESCF treatment of pyrazole, its anion, and cation are reported. A comparison is made of the chemical properties of pyrazole and those predicted from the calculated π-electron densities. An ambiguity in the comparison owing to the rapid tautomerization of pyrazole is emphasized. The calculated π-electron distribution in the anion supports the suggestion made in previous papers that the relative electronegativities of carbon and tertiary nitrogen reverse when their π-electron densities exceed 1.2. The dipole moment is predicted to be about 2.5 D for pyrazole, in agreement with observations in solution. Theoretical values of ionization potentials are also presented. An analysis is made of VESCF matrix elements and some empirical guides as to suitable values of coulomb and resonance parameters for five-membered ring nitrogen heterocycles are suggested.


1981 ◽  
Vol 59 (1) ◽  
pp. 150-171 ◽  
Author(s):  
Irving Ozier ◽  
W. Leo Meert

A new avoided-crossing technique using a conventional molecular beam electric resonance spectrometer has been developed for studying symmetric rotors. By means of an external electric field, two levels with different values of K are made nearly degenerate and normally forbidden electric-dipole transitions between the interacting levels are observed. Mixing matrix elements ηST with ΔK = ± 3 arise from the centrifugal distortion dipole moment μD and mixing terms ηHYP, with ΔK = ± 1, ± 2 arise from the nuclear hyperfine Hamiltonian. Explicit expressions for ηHYP are given in an Appendix. Many of these terms break the symmetry of both the rotational and nuclear spin parts of the wave functions. The avoided-crossing method is discussed in detail, with emphasis on its application to the measurement of (A0–B0). It is shown how the technique can be used to determine the perpendicular moment μD, as well as μJ, and μK, the constants which characterize the dependence of the parallel dipole moment μ on J and K, respectively. Other applications include the experimental investigation of the selection rules for the individual terms in ηHYP and the determination of the sign of the rotational g-factors [Formula: see text] and [Formula: see text].∙The method has been applied to phosphoryl fluoride (OPF3). It has been determined that (A0–B0) = 217.4987(44) MHz, μD = 5.856(20) × 10−6 D, μJ = −3.38(10) × 10−6 D, and both [Formula: see text] and [Formula: see text] are negative.


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