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1.
Accurate SCF computations are reported on the Rydberg states of N2 of electron configurations ---1πu3u, ---1πu3u, and ---3σg2πg, also on the valence states of the configuration ---1πu3g. The Rydberg state calculations supplement those of Lefebvre-Brion and Moser. A comparison is made between the ---1πu3u states and the parallel set of states of the u3g configuration. This comparison shows a sharp difference in the 1Σ+ states of the two configurations, the 1Σ+ state being very high in the latter but relatively low in the former configuration. Recknagel coefficients are given for the several states of the two configurations; as expected, these are much smaller for the u3u configuration. Also, the 1Δ state is relatively lower for the latter configuration.  相似文献   

2.
The emission spectrum of the He2 molecule has been rephotographed in the ~4000–~5700 Å region and the 4d(3Σu+, 3Πu, 3Δu) → 2pπ3Πg, 4d(1Σu+, 1Πu, 1Δu) → 2pπ1Πg, 4s3Σu+ → 2pπ3Πg and 4s1Σu+ → 2pπ1Πg transitions analyzed. The 4dδj3Δu, 4dπj3Πu, 4dσj3Σu+ and 4sh3Σu+ states have been characterized through v = 2 and the 4dδJ1Δu, 4dπJ1Πu, 4dσJ1Σu+, and 4sH1Σu+ states for v = 0. The term levels for these perturbed and l-uncoupled states have been confirmed (a) by analyses of bands with common levels from Δv = 0, ±1 sequences and (b) by analyses of the transitions between the above states from 4d and 4s and the c3Σg+ and C1Σg+ states associated with 3. Molecular constants are reported which have been partially corrected for the effects of l-uncoupling and the homogeneous perturbations between the state pairs J, H and j, h.  相似文献   

3.
Two band groups near 1450 Å, first observed by Tanaka, Yoshino, and Freeman (J. Chem. Phys.62, 4484–4496 (1975)) in discharges through mixtures of helium and argon and assigned by them to the HeAr+ ion, were studied under high resolution. Like the similar spectrum of HeNe+ previously investigated, the spectrum of HeAr+ is a charge transfer spectrum. The upper state B2Σ+ of both band groups is derived from He+(2S) + Ar(1S) while the two lower states A22Π12 and X2Σ+ are derived from He(1S) + Ar+(2P). All three states are very weakly bound, the two lower states even more weakly than the upper state. Unlike HeNe+ most of the HeAr+ bands are violet shaded. In the longward band group each band shows only three branches while in the shortward group there are four. The former observation shows that the A22Π12 state behaves like a 2Σ? state with γv ≈ 0. The B, D, γ, p, and ΔG values of all states were evaluated. While the Bv values of upper and lower states are nearly equal, the Dv values are quite different and this difference accounts for the violet shading of most of the bands even when Bv is slightly smaller than Bv; it also accounts for some of the extraheads and linelike features in the rotational structure. As in HeNe+ the 2Π32 component of 2Π was not observed.  相似文献   

4.
Discharges through mixtures of helium and neon show two band groups near 4250 and 4100 Å as first observed by Druyvesteyn. These bands, assigned to the HeNe+ ion by Tanaka, Yoshino, and Freeman, have been studied under high resolution and have been fairly completely analyzed. The upper state of the transition is a very weakly bound state resulting from He+(2S) + Ne(1S0). There are two lower states resulting from the two components of Ne+(2P) + He(1S0). The upper of these two (2Π12) is also very weakly bound while the lower of the two, the 2Σ+ ground state, has a dissociation energy of 0.69 eV and an re value of 1.30 Å. All bands in both band groups show four branches designated Rff, Qef, Qfe, and Pee. From their analysis the rotational constants in the various vibrational levels of the three electronic states have been determined. While no spin splitting in the B2Σ+ state has been found the ground state X2Σ shows a very large spin splitting and the A22Π12 state a very large Ω-type doubling. The vibrational numberings in all these states were established by the study of the spectrum of 3HeNe+. At the same time the hyperfine structure observed in all lines of 3HeNe+ confirmed the nature of the upper state B2Σ+ as resulting from He+ + Ne, i.e., by charge exchange from the ground state. The 2Π12 component of the 2Π state has not been observed, presumably because of low intensity.  相似文献   

5.
High-spin states in 195, 197Tl have been populated with (α, xn) reactions and studied by means of in-beam γ-ray and e? spectroscopic methods. Complementary studies of the decay of 195, 197Pb to 195, 197Tl have been carried out. Several new features have been observed in these nuclei. The 92? bands of 195, 197T1. extended to 272(?) and 292(?), respectively, show a quenching of energy spacings between the 232?, 252?, 272(? and 292(? states. This has been interpreted as resulting from the coupling of a h92 proton to the (πh?2112)8+, 10+ configurations in the core nuclei 194, 196Hg. Furthermore, positive-parity bands based on 152+ states were established up to the 352(+) and 292(+) states in 195, 197Tl respectively. Probably these bands originate from the coupling of a h92 proton to a broken neutron pair. This pair consists of a rotation-aligned i132 neutron and a low-j neutron in the P12, P32 or f52 shell. It is known to constitute the 5? bands in 194, 196Hg.  相似文献   

6.
Predissociations in the y1Πg and x1Σg? Rydberg states of N2 (configurations u?14pσ and u?13pπ, respectively) and their likely causes, are discussed. Peaking of rotational intensity at unusually low J values, without sharp breaking off, is interpreted as due to case c? or case ci predissociation. Λ doubling in the y state, attributed to interactions with the x1Σg? state and with another, 1Σ+, state of the same electron configuration as x, is analyzed. From this analysis the location of the (unobserved) 1Σg+ state, here labeled x′, is obtained. It is concluded that the predissociation in the Π+ levels of the y state is an indirect one mediated by the interaction with x′ coupled with predissociation of x′ by a 3Σg? state dissociating to 4S + 2P atoms: combined, however, with perturbation of the y state by the k1Πg Rydberg state (configuration g?14dπ), whose Π+ levels are completely predissociated.  相似文献   

7.
Distributions of cross sections and analysing powers have been measured over the range ~ 14°–100° c.m. for the (3H, 3He), (3H, 4He), (3H, 2H) reactions at 33.4 MeV incident e using a ~ 95 % enriched 30Si target. Phenomenological optical-model analyses of the elastic-scattering data have been carried out. A DWBA analysis of the inelastic-scattering data for the 2.24 MeV (2+) and 5.49 MeV (3?) states of 30Si has yielded values of the deformation β2 and β3. The j-dependence of the analysing powers for the (3He, 4He) and (3He, 2H) reactions has identified the 6.71 MeV level of 29Si as a 52+ state, and a level near 9.5 MeV in 31P as a possible 72? state. Spectroscopic factors for ten states in 29Si and seven states in 31P have been deduced and are compared with other work. The extent to which the data defines the 3He spin-orbit potential is discussed.  相似文献   

8.
The role of B3Σu?-23Σu+ spin-orbit mixing in the O2 Schumann-Runge predissociation is investigated. The 23Σu+ state is found to cross the B3Σu? state near 2.0 Å with an interaction matrix element of approximately 55 cm?1. This state contributes to the widths of the Bv ≥ 6 levels, but introduces only small level shift perturbations. When the partial widths due to the 3Σu?-3Σu+ interaction are added to the previously calculated widths due to the 5Πu, 3Πu, and 1Πu states, reasonable agreement is obtained with experimental measurements on O16O16 and O18O18. The possibility of non-Lorentzian line profiles and the dependence of the width on rotational quantum number is investigated. The approximation of the spin-orbit matrix element by its value at the crossing point is shown to be a good approximation for calculating the second difference perturbations.  相似文献   

9.
Potential energy curves for the 4Σ+u, 4Πg and 6Σ+g states of N+2 that dissociate to N (4S0) and N+(3P), have been determined from a complete active space self-consistent field calculation. The 6Σ+g state is found to be significantly bound (De = 2.68 eV) with a minimum at 1.72 Å.  相似文献   

10.
A theoretical model used to describe the B′3Σu? and B3Πg states of N2 is presented. Using recently acquired high resolution spectra of the B′3Σu? → B3Πg (0-0) band, rotational energy levels of the v = 0 vibrational levels of these two states are generated with this model. These levels are in excellent agreement with those obtained using a combination differences technique. The precision of the model generated levels is 0.01 cm?1. The previously unpublished rotational levels of Dieke and Heath for the A3Σu+, B3Πg and C3Πu states are referenced to the N2X1Σg+ (v = 0, J = 0) ground level and tabulated here. Estimates of the precision of their work are made.  相似文献   

11.
Based on the proper connected diagram expansion, we calculated cyclotron resonance widths Γn associated with neighboring Landau states (n, n +1) for free electrons in interaction with more than one kind of impurities. In 3D usual Matthiessen's rule Γn=Γ(1)n+Γ(2)n+…where Γ(i)n represent widths calculated separately for each kind, is obtained. In 2D a new rule: Γn=[Γ(1)2n(2)2n+…]12 is obtained.  相似文献   

12.
The emission spectrum of the He2 molecule has been rephotographed in the ~3200–4100 Å region and the 4pσ g3Σg+ → 2s a3Σu+, 5pσ k′3Σg+ → 2s a3Σu+, and 6pσ n3Σg+ → 2s a3Σu+ transitions analyzed. The g, k′, and n states, which have not been reported previously, are characterized through v = 1, 2, and 1, respectively. Several small accidental perturbations have been observed in the rotational manifolds of the k′ and n states.  相似文献   

13.
The gas phase infrared spectra of monoisotopic H3Si35Cl and H3Si37Cl have been studied in the ν1ν4 region near 2200 cm?1 with a resolution of 0.012 and 0.04 cm?1, respectively, and rotational fine structure for ΔJ = ±1 branches has been resolved. In addition, some information on ν3 + ν4 of H3Si35Cl near 2750 cm?1 has been obtained. ν1 and ν4 are weakly coupled by Coriolis x, y resonance, BΩ14ζ14 ~ 2 × 10?3cm?1, only the upper states K′ = 2, l = 0 and K′ = 1, l = ?1 being substantially affected. Local perturbation due to rotational l(±1, ±1)-type resonance with ν3 + ν5+1 + ν6+1 and ν3 + ν5+1 + ν6?1 is revealed in the ΔK = +1 and ?1 branches, respectively. From a fit of the experimental line positions, standard deviations of 1.4 and 3.8 × 10?3 cm?1, respectively, to a model with five interacting levels conventional excited state parameters and interaction constants have been obtained. In H3Si35ClH3Si37Cl the fundamentals are ν1, 2201.94380(15)2201.9345(7) and ν4, 2209.63862(8)2209.6254(2) cm?1, respectively. Q branches of the “hot” band (ν3 + ν4) ? ν3 and of ν4 of the 29Si and 30Si species have been detected.  相似文献   

14.
The reduced M2 transition probabilities 112?172+1 in the odd-A isotopes 109–121Sn are found to reveal a specific behaviour. B(M2) values are calculated in the framework of the quasiparticlephonon model. The coupling of a quasineutron with the 2+, 3? and 2? one-phonon core excitation is taken into account. Inclusion of all one-phonon 2? states up to 24 MeV in the wave functions of the excited states 112?1and72+1 reduces the theoretical B(M2) values by 3–4 times as compared to the single-particle values. The specific B(M2) dependence on the mass number appears to be due to the pairing effect.  相似文献   

15.
16.
We have observed inter-term Raman scattering from 5T2g5Eg Frenkel excitons in antiferromagnetic FeF2. It differs qualitatively from previously observed intra-term scattering in a sharply reduced zero-phonon cross section and the appearance of relatively strong exciton-phonon scattering. Since the Raman process is fully allowed, it is possible to measure excited state Debye-Waller factors, D, and we find D(Λ3+ + Λ4+, 5Eg) = 0.04 and D(Λ1+, 5Eg) = 0.03.  相似文献   

17.
18.
Cross sections for charmed baryon pair production near threshold in e+e? annihilation are calculated using pole-dominated form factors modified to take intoccount continuum effects. When the C0+C0? production cross section is normalized with the help of data for e+e?pX it is found that the total charmed baryon production cross (C0C0, C1C1, C1C11 + C11C1, C11C11) reaches a peak value of approximately 2.7 nb at √s = 5 GeV.  相似文献   

19.
The 169Tm(t, α)168Er reaction has been studied using 17 MeV polarized tritons from the Los Alamos National Laboratory tandem Van de Graaff accelerator. The α-spectra were analyzed with a Q3D magnetic spectrometer. The overall energy resolution was typically ~ 15 keV (FHWM) and angular distributions of cross sections and analyzing powers were obtained for levels up to ~ 2.7 MeV. The fact that spins and parities for all levels up to ? 2 MeV were previously known from an extensive series of (n, γ) studies made it possible to determine specific two-quasiproton structures for many bands from the present results. The Kπ = 2+ γ-vibrational band was found to have a large 32+ [411]p + 12+[411]p admixture, consistent with the predicted microscopic composition of this phonon, but no 52[413]p ? 12+ [411]p component was observed. The Kπ = 04+ band at 1833 keV has ~ 25% of the 12+ [411]p ? 12+[411]p two-quasiproton strength. This is in excellent agreement with the Soloviev model but is inconsistent with the interacting boson model, in which the Kπ = 04+ band is composed almost completely of multiphonon configurations that should not be populated in a single-nucleon transfer reaction. The Kπ = 4?, 72?[523]p + 12+ [411]p two-quasiproton and the Kπ = 4?, 72+[633]n + 12?[521]n two-quasineutron states are mixed strongly with each other, but the two Kπ = 3? bands composed of antiparallel couplings of the same particles are not. A good qualitative explanation of this mixing pattern is provided in terms of the effective neutron-proton interaction.  相似文献   

20.
Line positions and molecular constants for the 0-0, 1-0, 2-0, 0-1, 2-1, 3-1, 0-2, 1-2, and 4-2 bands of the C2 Phillips system (A 1Πu-X 1Σg+) are reported. Among them, five bands have not been reported previously. Rotational perturbations have been observed in the previously unobserved v = 1 level of the A 1Πu state. This state is perturbed by the c 3Σu+ state which was discovered by Ballik and Ramsay. These observations provide new information regarding the perturbing state. In particular, the minimum of the potential energy for the c 3Σu+ state has been found to be at 9227.4 cm?1 instead of 13 310 cm?1, which was the previous Te value for this electronic state.  相似文献   

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