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Dipole moment approximation of three-dimensional plasma acceleration through axisymmetric diverging magnetic fields
A calculated dipole moment of 2.39 D at R sub e = 2.79 a sub 0 is reported, obtained from complete active space SCF/configuration interaction calculations plus one natural orbital iteration. The calculation is in good agreement with the experimental value of 2.4 + or - 0.1 D measured for the lowest vibrational level. In agreement with Gray et al. (1985), it is found that the dipole moment is strongly correlated with the 3d electron population; the good agreement with experiment thus provides verification of the mixed state model of NiH. It is concluded that the electric dipole moment of NiH is a sensitive test of the quality of the NiH wave function.
A complete theoretical electric dipole moment function mu(r) is computed for OH(X 2Pi) at the full configuration-interaction (FCI) level for DZP + diffuse Gaussian basis set. The energy and dipole moment are also determined with 2d functions on oxygen at seven r values. The following methods are compared to the FCI for both the oxygen 1d and 2d basis sets: single-reference singles-plus-doubles configuration interaction (SDCI), SDCI with Davidson's correction, the coupled pair functional approach (CPF) and a modified form of CPF, CASSCF, and CASSCF-MRSDCI, and the external contracted CI(CCI) method. The dipole moments are evaluated both as an expectation value and by finite-field methods. The results support the superiority of evaluating the dipole moment as an energy derivative rather than as an expectation value.
The potential energy function and electric dipole moment function (EDMF) are computed for CIO Chi(sup 2)Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. Remaining questions concerning the position of the maximum of the EDMF may be resolved through experimental measurement of dipole moments of higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 +/- 2 /sq cm atm in good agreement with three experimental values, but larger than a recent value of 5 /sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.
Accurate theoretical dipole moments have been computed for the X2Pi ground states of Si(-)H(+) (0.118 D), Ge(+)H(-) (0.085 D), and Sn(+)H(-) (0.357 D). The trend down the periodic table is regular and follows that expected from the electronegativities of the group IV atoms. The dipole moment of 1.24 + or - 0.1 D for GeH recently derived by Brown, Evenson and Sears (1985) from the relative intensities of electric and magnetic dipole transitions in the 10-micron spectrum of the X2Pi state is seriously questioned.
Accurate theoretical dipole moments (mu(sub c) have been computed for the X(exp 2)Pi ground states of Si(-)H(+)(0.118 D), Ge(+)H(-)(0.085 D) and Sn(+)H(-)(0.357 D). The trend down the periodic table is regular and follows that expected from the electronegativities of the group IV atoms. The dipole moment of 1.24 +/- 0.1 D for GeH recently derived by Brown, Evenson and Sears from the relative intensities of electric and magnetic dipole transitions in the 10 microns spectrum of the X(exp 2)Pi state is seriously questioned.
Apollo 15 subsatellite magnetic field observations have been used to measure both the permanent and the induced lunar dipole moments. Although only an upper limit of 1.3 x 10 to the 18th gauss-cubic centimeters has been determined for the permanent dipole moment in the orbital plane, there is a significant induced dipole moment which opposes the applied field, indicating the existence of a weak lunar ionosphere.
Reliable experimental diople moments are available for the ground states of SeH and BrH whereas no values have been reported for GaH and AsH a recently reported experimental dipole moment for GeH of 1.24 + or -0.01 D has been seriously questioned, and a much lower value of, 0.1 + or - 0.05 D, suggested. In this work, we report accurate theoretical dipole moments, dipole derivatives, dissociation energies, and spectroscopic constants (tau(sub e), omega(sub e)) for the ground states of GaH through BrH.
The potential energy function and electric dipole moment function (EDMF) are computed for ClO X 2Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 + or - 2 per sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.
The dipole moment function for the X(sup 2)II state of NO is studied as a function of the completeness in both the one- and n-particle spaces. Einstein coefficients are presented that are significantly more accurate than previous tabulations for the higher vibrational levels. The theoretical values give considerable insight into the limitations of recently published ratios of Einstein coefficients measured by spectrally resolved infrared chemiluminescence.
A theoretical study of the sensitivity of the dipole moment function (DMF) of the X2Pi ground state of OH to basis-set saturation and to refinements in the correlation treatment is presented. Emphasis is placed on determining the slope of the DMF at r(e) and the r value at which the maximum occurs. Consideration is given to the effect of oxygen polarization functions up through h type, expansion of the active orbital space to include the O 3d-delta orbital, the effect of higher excitations using the averaged coupled-pair functional method, and the effect of evaluating the dipole moment as an energy derivative rather than as an expectation value. The theoretical DMFs obtained here, which should be the most accurate to date, differ markedly from an empirical DMF of Turnbull and Lowe that is based on experimentally derived intensity ratios. The theoretical DMFs agree better with a recently published DMF of Nelson et al., but suggest that this empirical DMF is also inaccurate for r greater than 2.3 a0.
Dipole moment of perchlorofluoride by measuring absolute absorption maximum and linewidth parameters in resonant cavity
Spectroscopic parameters (D sub e, r sub e, mu) are determined for the first-row transition metal hydrides using better than DZP basis sets at the modified coupled pair functional (MCPF) level. Extensive comparisons between MCPF and complete-active space self-consistent field (CASSCF)/MRCI calculations with natural orbital iterations, and studies with more extensive basis sets, show this level of treatment to supply an accurate and cost-effective treatment of these systems. For the transition metal hydrides, the bonding can arise from either the 3d(n)4s(2) or 3d(n + 1)4s(1) atomic asymptotes, or a mixture of both. Since the dipole moment arising from these two bonding mechanisms is very different, the dipole moment is found to be directly related to the 3d population. Thus, the magnitude of the dipole moments provides a sensitive test of the wave function, and gives insight into the nature of the bonding.
The constant and linear terms in a Taylor series expansion of the dipole moment function of the ground state of ozone are calculated with Cartesian Gaussian basis sets ranging in quality from minimal to double zeta plus polarization. Results are presented at both the self-consistent field and configuration-interaction levels. Although the algebraic signs of the linear dipole moment derivatives are all established to be positive, the absolute magnitudes of these quantities, as well as the infrared intensities calculated from them, vary considerably with the level of theory.
The permanent electric dipole moments for the X 5Pi and B 5pi states of gas-phase CrO have been experimentally determined using the sub-Doppler optical technique of intermodulated fluorescence spectroscopy in conjunction with the Stark effect. The measured values are 3.88 + or - 0.13 and 4.1 + or - 1.8 D for the X and B states, respectively. The theoretical values determined for the X state using multireference CI iterative-natural-orbital and finite-field calculations are in excellent agreement with the experimental value.
Neutrino dipole moments mu(nu) would increase the core mass of red giants at the helium flash by delta(Mc) = 0.015 solar mass x mu(nu)/10 to the -12th muB (where muB is the Bohr magneton) because of enhanced neutrino losses. Existing measurements of the bolometric magnitudes of the brightest red giants in 26 globular clusters, number counts of horizontal-branch stars and red giants in 15 globular clusters, and statistical parallax determinations of field RR Lyr luminosities yield delta(Mc) = 0.009 + or - 0.012 solar mass, so that conservatively mu(nu) is less than 3 x 10 to the -12th muB.
An electron can possess an electric dipole moment (edm) only if time reversal symmetry (T) is violated. No edm of any particle has yet been discovered. CP-violation, equivalent to T-violation by the CPT theorem, does occur in Kaon decays and can be accounted for by the standard model. However, this mechanism leads to an electron edm d(sub e) of the order of 10(exp -38) e cm, whereas the current experimental bound on d(sub e) is about 10(exp -27) e cm. However, well-motivated extensions of the standard model such as supersymmetric theories do predict that de could be as large as the current bound. In addition, CP violation in the early universe is required to explain the preponderance of matter over anti-matter, but the exact mechanism of this CP violation is unclear. For these reasons, we are undertaking a new experimental program to determine de to an improved accuracy of 10(exp -29) e cm. Our experiment will use laser-cooled, trapped Cesium atoms to measure the atomic edm d(sub Cs) that occurs if d(sub e) is not zero. In order to do this, we will measure the energy splitting between the atoms spin states in parallel electric and magnetic fields. The signature of an edm would be a linear dependence of the splitting on the electric field E due to the interaction - d(sub Cs) dot E. Our measurement will be much more sensitive than previous measurements because atoms can be stored in the trap for tens of seconds, allowing for much narrower Zeeman resonance linewidths. Also, our method eliminates the most important systematic errors, proportional to atomic velocity, which have limited previous experiments. In this presentation, we will describe the design of our new apparatus, which is presently under construction. An important feature of our experimental apparatus is that magnetic field noise will be suppressed to a very low value of the order of 1 fT/(Hz)1/2. This requires careful attention to the Johnson noise currents in the chamber, which have not been important in previous experiments. In addition we will present estimates of the limits of the various errors that we expect for our experiment.
Magnetic field observations with the Apollo 15 subsatellite have been used to deduce the components of both the permanent and induced lunar dipole moments in the orbital plane. The present permanent lunar magnetic dipole moment in the orbital plane is less than 1.3 times ten to the eighteenth power gauss-cu cm. Any uniformly magnetized near surface layer is therefore constrained to have a thickness-magnetization product less than 2.5 emu-cm per g. The induced moment opposes the external field, implying the existence of a substantial lunar ionosphere with a permeability between 0.63 and 0.85. Combining this with recent measures of the ratio of the relative field strength at the ALSEP and Explorer 35 magnetometers indicates that the global lunar permeability relative to the plasma in the geomagnetic tail lobes is between 1.008 and 1.03.