Effect of molecular structural elements of chloro-substituted derivatives of naphthalene on intramolecular interactions, which determine T1 ? S0 nonradiative transition

By calculating the matrix elements of operators of adiabatic and nonadiabatic interactions, which determine the process T ₁ ^S ↝ S ₀ in molecules of naphthalene and its 1,4- and 2,3-dichloro-substituted derivatives, we study how various factors of intramolecular interactions affect this process. The effects of α and β chlorine substituents on spin-orbit (SO) interactions in the carbon backbone of the molecule and in its chlorine atoms, where the compensation effect of SO interactions was revealed, are separated. It is found that high-frequency out-of-plane promoting modes (corresponding to vibrations of CCH groups) differently affect SO interactions in the carbon backbone of molecules and in chlorine atoms.     

Intramolecular interactions and deuteration effect in nonradiative deactivation of lowest triplet state of anthracene and naphthalene

In the approximation of nonadiabatic interactions and considering all out-of-plane vibrational modes to be promoting ones, we calculate changes in the rate constants T _s K _dg ^s of the nonradiative degradation T ₁ ^s ⇝ S ₀ of in-plane spin (s) triplet states as a result of the complete deuteration of anthracene and naphthalene molecules. We examine how the deuteration, the frequency factor, and the shape of promoting vibrational modes affect the squared matrix elements of both nonadiabatic coupling and adiabatic vibronically induced spin-orbit (VISO) coupling of electronic states. The compensation effect of spin-orbit interactions in structural elements of the carbon backbone of the anthracene molecule is ascertained.     

Two-photon resonant four-wave mixing processes in atomic barium

By means of a N₂-laser pumped dye-laser (P _L ≈20kW, Δv _L < 10 GHZ) different two-photon resonant four-wave coupling processes in Ba vapour (n _Ba≈10¹⁶ cm⁻³) using the Ba states 6s8s ¹ S _o and 7s5d ¹ D ₂ were investigated. Coherent line radiation with conversion rates up to 10⁻³ was generated within the range of λ=190–200 nm by sumfrequency mixingv _UV=2v ₁+v ₂ of 3 laser photons and within the range of λ=250–380 nm by couplingv _UV=2v ₁±v _IR of 2 laser photons with one photonv _IR stimulated emitted in laser-induced Ba transitions. For the second coupling type the various nonlinear processes contributing to the formation of the coupling components are discussed. The power of the UV-component as function of inensity and resonance detuning of the laser as well as on the phase-mismatch was calculated on the basis of the small signal theory and compared to the experimental data.     

Experimental determination of the rate constant for spin exchange in collisions of polarized metastable helium atoms with ground-state cesium atoms

The rate constant for spin exchange in a system consisting of a metastable helium atom and an alkali-metal atom is determined. An experiment on optical orientation of atoms established that the rate constant for spin exchange in a collision of a metastable 2³ S ₁ helium atom with a cesium atom in the 6² S _1/2 ground state equals (2.8±0.8)×10⁻⁹ cm³ s⁻¹. The rate constant for chemoionization of cesium atoms by metastable helium atoms was determined at the same time to be (1.0±0.3)×10⁹ cm³s⁻¹. Pis’ma Zh. éksp. Teor. Fiz. 66, No. 3, 145–148 (10 August 1997)     

Postcollision interaction upon electron excitation of 4sns1S0, 3S1 and 4snd1D2, 3DJ levels of zinc atom

The optical excitation functions (OEFs) for four series of spectral lines of the Zn atom at the transitions 4sn ₁ s ¹ S ₀ → 4s4p ¹ P ₁^∘ (n ₁ = 6–10), 4sn ₂ s ³ S ₁ → 4s4p ³ P ₂^∘ (n ₂ = 6−8), 4sn ₃ d ¹ D ₂ → 4s4p ¹ P ₁^∘ (n ₃ = 4−6), 4sn ₄ d ³ D _{1, 2, 3} → 4s4p ³ P ₂^∘ (n ₄ = 4−7) excited by a monoenergetic (0.04–0.08 eV) electron beam with energies from the excitation threshold to 18–19 eV are measured. In the energy dependences of the excitation cross sections, the effect of post-collision interaction of slow (scattered) and fast (emitted after the autoionization state decay) electrons is observed and described. This interaction leads to the capture of a slow electron into the listed discrete levels and the appearance of maxima in the excitation functions. The energies of the maxima are used to determine the energies and widths of single autoionization states or their groups by approximate formulas of the classical approach. The autoionization levels of the zinc atom responsible for the maxima observed are determined. Possible transfer of the orbital angular momentum between electrons is analyzed.     

Bound states of the muon-antimuon system: Lifetimes and hyperfine splitting

We examine the properties of an atomic system consisting of a muon and antimuon. Expressions are derived for the probability of decay and the hyperfine splitting of the lower levels with allowance for the leading radiative corrections, which are of relative order α. The results for the lifetimes and the ground-state energy are τ(1³ S ₁)=1.7907(8)×10⁻¹² s, τ(1¹ S ₀)=0.59547(33)×10⁻¹² s, and E _hfs (1s)=4.23284(35)×10⁷ MHz. The relative probabilities for the various decay channels are calculated; in particular, for the 1 ³ S ₁ level it is found that Γ (μμ→eeγ)/Γ(μμ→ee)≈15%. Finally, possible applications are discussed. Zh. éksp. Teor. Fiz. 113, 409–431 (February 1998)     

Two-step excitation of an auto-ionized state of the Ba atom associated with two-photon excitation of an intermediate state

An experimental and theoretical study is performed of the angular photoelectron distribution for three-photon ionization of Ba atoms through the 2ω-excited intermediate state 6p ²(¹ S ₀) and the auto-ionized state 6p8s(³ P ₁). Rotation of the polarization plane of dye-laser radiation allowed us to investigate the photoelectron angular distribution. Electrons were counted with the help of a time-of-flight electron spectrometer. The density-matrix formalism is used to obtain expressions for the angular dependence of the differential ionization probability. Possible experiments are discussed. Zh. éksp. Teor. Fiz. 113, 834–840 (March 1998)     

Nonadiabatic effects in the phonon spectra of superconductors

The nonadiabatic corrections to the self-energy part Σ_s(q, ω) of the phonon Green’s function are studied for various values of the phonon vectors q resulting from electron-phonon interactions. It is shown that the long-range electron-electron Coulomb interaction has no direct influence on these effects, aside from a possible renormalization of the corresponding constants. The electronic response functions and Σ_s(q, ω) are calculated for arbitrary vectors qand energy ω in the BCS approximation. The results obtained for q=0 agree with previously obtained results. It is shown that for large wave numbers q, vertex corrections are negligible and Σ_s(q, ω) possesses a logarithmic singularity at ω=2Δ, where Δ is the superconducting gap. It is also shown that in systems with nesting, Σ_s(Q, ω) (where Q is the nesting vector) possesses a square-root singularity at ω=2Δ, i.e., exactly of the same type as at q=0. The results are used to explain the recently published experimental data on phonon anomalies, observed in nickel borocarbides in the superconducting state, at large q. It is shown, specifically, that in these systems nesting must be taken into account in order to account for the emergence of a narrow additional line in the phonon spectral function S(q, ω)≈−π ⁻¹ Im D _s (q, ω), where D _s (q, ω) is the phonon Green’s function, at temperatures T<T _c . Zh. éksp. Teor. Fiz. 115, 1799–1817 (May 1999)     

Nonradiative deactivation of the lowest excited triplet state of the dibenzo-<Emphasis Type="Italic">p</Emphasis>-dioxin molecule

In the nonadiabatic approximation, we study how intramolecular interactions affect the nonradiative energy degradation T ₁ ^s ↝ S ₀ of triplet sublevels s of the lowest triplet state of the dibenzo-p-dioxin molecule. We consider the role played in the degradation by the shape of promoting high- and low-frequency vibrational modes and by spin-orbit interactions separately in the carbon backbone of the molecule and in heteroatoms (oxygen). We find that σ-electrons of oxygen that correspond to the lone pair and to valence electrons play different roles in the nonadiabatic interaction.     

The hyperfine splittings in heavy-light mesons and quarkonia

Hyperfine splittings (HFS) are calculated within the Field Correlator Method, taking into account relativistic corrections. The HFS in bottomonium and the B _q (q = n, s) mesons are shown to be in full agreement with experiment if a universal coupling α _HF = 0.310 is taken in perturbative spinspin potential. It gives M(B*) −M(B) = 45.7(3) MeV, M(B _s ^* ) − M(B _s ) = 46.7(3) MeV (n _f = 4), while in bottomonium Δ_HF(b $ \bar b $ \bar b ) = M(Υ(9460)) − M(η _b (1S)) = 63.4 MeV for n _f = 4 and 71.1 MeV for n _f = 5 are obtained; just the latter agrees with recent BaBar data. For unobserved excited states we predict M(Υ(2S))−M(η _b (2S)) = 36(2)MeV,M(Υ(3S))−M(η _b (3S)) = 28(2)MeV, and also M(B _c ^*) = 6334(4) MeV, M(B _c (2S)) = 6868(4) MeV, M(B _c ^* (2S)) = 6905(4) MeV. The mass splittings between D(2³ S ₁) − D(2¹ S ₀), D _s (2³ S ₁) − D _s (2¹ S ₀) are predicted to be ∼75 MeV, which are significantly smaller than in several other studies but agree with the mass splitting between recently observed D(2533) and D*(2610).     

Autoionization cross section of lithium atoms excited by electron impact

We measure the full autoionization cross section of lithium atoms excited by electrons in the energy range from the first autoionization threshold at 56.39 to 600 eV. Data are obtained by determining the total intensity of electron spectrum of autoionization states 1sn ₁ l ₁ n ₂ l ₂ detected at the “magic” observation angle of 54.7°. The cross section behavior is characterized by a sharp increase to a maximum value of 1.7 × 10⁻¹⁸ cm² in the energy interval of 56.4–60 eV and a subsequent monotonic drop to a value of 10⁻¹⁸ cm² at 600 eV. We have discovered a “thin” cross section structure that reflects the presence of strong resonances of Li⁻ ions in the near-threshold area of excitation of the lowest energy autoionization states (1s2s2)2S, (1s2s2p)⁴ P, 1s(2s2p ³ P)² P), and 1s(2s2p ¹ P)² P. We have established that the contribution of autoionization to the absolute cross section of single ionization of lithium atoms does not exceed 4%. We perform a comparative analysis of the data with analogous data for potassium and cesium atoms.     

Novel sets of coupling expansion parameters for low-energy pQCD

In quantum theory, physical amplitudes are usually presented in the form of a Feynman perturbation series in powers of coupling constant α. However, it is known that these amplitudes are not regular functions at α = 0. For QCD, we propose new sets of expansion parameters w _k (α _s ) that reflect singularity at α _s = 0 and should be used instead of powers α _s ^k . Their explicit form is motivated by the so-called Analytic Perturbation Theory. These parameters reveal saturation in a strong coupling case at the level α _s ^eff (α _s 1) = w ₁(α _s 1) ∼ 0.5. They can be used for the quantitative analysis of divers low-energy amplitudes. We argue that this new picture with non-power sets of perturbation expansion parameters, as well as the saturation feature, is of a rather general nature. The text was submitted by the author in English. A preliminary version with the main results was published in [1].     

Polarized fluorescence of β-carotene and related polyenes

The spectral and polarization characteristics of trans-isomers ofβ-carotene, lycopene, retinal, and 1,6-diphenylhexatriene (DPH) in solutions have been investigated by the methods of polarized fluorescence and semiempirical calculations of AM1 and RM3. The high and constant values of the degree of polarization P ∼0.46, closely coinciding with the limiting value P₀=0.5, according to the S₂→S₀-fluorescence and S₂←S₀-fluorescence excitation spectra ofβ-carotene and lycopene in n-hexane at room temperature and also high and coinciding according to the S₁→S₀-fluorescence and S₂←S₀-fluorescence excitation spectra for retinal in EPA at 77 K and DPH in a polyvinylbutyral film, point to the coincidence of the directions of absorption and emission oscillators. These oscillators are aligned along the major axis of the polyene molecule, and the longwave S₂←S₀-absorption band is formed only by one electronic¹B _u ⁺ ←¹A _g ⁻ -transition. The oscillators of shortwave S_a←S₀-absorption bands are aligned at an angle to the oscillators of the S₂←S₀-transitions, which is related to the distortions in the structure of molecules (β-carotene, lycopene) or, as in the case of DPH, to the influence of transitions localized on the orbitals of phenyl rings and polarized perpendicularly to the major axis of the molecule. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 67, No. 1, pp. 69–74, January–February, 2000.     

Magnetic Properties of Monomer and Dimer Tetrahedral VO<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> Entities Dispersed on Amorphous Silica-based Materials: Prediction of EPR Parameters from Relativistic DFT Calculations and Broken Symmetry Approach to Exchange Couplings

Molecular structures of the isolated tetrahedral oxovanadium(IV) and bridged μ-oxo-divanadium(IV) complexes hosted by the clusters mimicking surfaces of amorphous silica-based materials were investigated using density functional theory (DFT) calculations. Principal values of the g and A tensors for the monomer vanadyl species were obtained using the coupled-perturbed DFT level of theory and the spin–orbit mean-field approximation (SOMF). Magnetic exchange interaction for the μ-oxo bridged vanadium(IV) dimer was investigated within the broken symmetry approach. An antiferromagnetic coupling of the individual magnetic moments of the vanadium(IV) centers in the [VO–O–VO]²⁺ bridges was revealed and discussed in detail. The coupling explains pronounced decrease of the electron paramagnetic resonance signal (EPR) intensity, observed for the reduced VO _x /SiO₂ samples with the increasing coverage of vanadia, in terms of transformation of the paramagnetic monomer species into the dimers with S = 0 ground state.     

Induced emission from a sodium Rydberg atom in a microwave cavity

Results are presented from an experiment on the observation of an induced microwave transition 37P-37S in sodium Rydberg atoms under the action of 30 thermal photons in a microwave cavity. The measured value of the transition rate (4±1.5)×10⁴ s⁻¹ agrees with the calculated value. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 6, 413–416 (25 March 1999)     

Electron phonon interactions and superconductivity in α ′ -TTF[Pd(dmit)2]2

A simple model is developed to understand superconductivity in α ^′ -TTF[Pd(dmit)₂]₂. We include electron-intra molecular and intermolecular phonon interactions as the mechanism of superconductivity. Intramolecular vibrations included are the eight symmetric A_g modes of the Pd(dmit)₂ molecule. Intermolecular vibrations included are the longitudinal acoustic and transverse acoustic (LA and TA) modes of the Pd(dmit)₂ column. All the electron-phonon coupling constants are calculated from first principles. We find that largest el-intramolecular vibration coupling is to the A_g mode with the highest frequency (1449 cm^-1). The el-intermolecular coupling to the LA mode is found to be larger than the total el-intramolecular couplings. We also find el-(TA)phonon coupling to be at least an order of magnitude smaller than el-(LA)phonon coupling. Estimate of superconducting transition temperature is comparable to experimental result. We also provide a detailed discussion, employing the results of recent numerical calculations on two-chain Hubbard model and the specific material parameters, on the relative importance of el-ph and Coulomb-origin mechanisms of superconductivity in α ^′ -TTF[Pd(dmit)₂]₂ and TTF[Ni(dmit) ₂ ] ₂ . Received 29 March 2001 and Received in final form 7 August 2001     

Photoproduction of baryons decaying into Nπ and Nη

A combined analysis of photoproduction data on γp↦ πN, ηN was performed including the data on KΛ and KΣ. The data are interpreted in an isobar model with s-channel baryon resonances and π, ρ (ω), K, and K ^* exchange in the t-channel. Three baryon resonances have a substantial coupling to ηN, the well-known N(1535)S ₁₁, N(1720)P ₁₃, and N(2070)D ₁₅. The inclusion of data with open strangeness reveals evidence for further new resonances, N(1840)P ₁₁, N(1875)D ₁₃ and, with weaker evidence, for N(2170)D ₁₃.     

Excitation of doublet <Emphasis Type="Italic">D</Emphasis>-levels of a lutetium atom by electron impact

The electron-impact excitation of doublet D-levels of the lutetium atom is studied by the method of extended crossing beams. At the exciting electron energy of 50 eV, 64 excitation cross sections are measured. In the electron energy range of 0–250 eV, nine excitation optical functions are recorded. The occurrence of perturbations in the spectral series 6s ²(¹ S)6p ² P ₁^2/○ − 6s ²(¹ S)nd ² D _3/2 is discussed.     

Asymptotic normalization coefficients (nuclear vertex constants) for p + 7Be → 8B and the direct 7Be(p, γ)8B astrophysical S factors at solar energies

A new analysis of the precise experimental astrophysical S factors for the direct-capture reaction ⁷Be(p, γ)⁸B [A.J. Junghans et al., Phys. Rev. C 68, 065803 (2003) and L.T. Baby et al., Phys. Rev. C 67, 065805 (2003)] is carried out on the basis of a modified two-body potential approach in which the direct astrophysical S factor, S ₁₇(E), is expressed in terms of the asymptotic normalization constants for p + ⁷Be → ⁸B and two additional conditions are involved to verify the peripheral character of the reaction under consideration. The Woods-Saxon potential form is used for the bound-(p + ⁷Be)-state wave function and for p ⁷Be-scattering wave function. New estimates are obtained for the “indirectly measured” values of the asymptotic normalization constants (the nuclear vertex constants) for the p + ⁷Be → ⁸B and S ₁₇(E) at E ≤ 115 keV, including E = 0. These values of S ₁₇(E) and asymptotic normalization constants have been used for obtaining the indirectly measured values of the s-wave average scattering length and the p-wave effective-range parameters for p ⁷Be scattering. The text was submitted by the authors in English.     

Measurement of the rate of nuclear capture of negative muons in the isotopes 84Kr and 136Xe

The lifetime of a negative muon in the 1S state in the isotopes ⁸⁴Kr and ¹³⁶Xe was measured. The values obtained, τ(⁸⁴Kr)=139.2±2.9 ns and τ(¹³⁶Xe)=111.0±4.6 ns, correspond to total nuclear capture rates Λ_c(⁸⁴Kr)=6.75±0.15 μs⁻¹ and Λ _c(¹³⁶Xe)=8.6±0.4 μs⁻¹. Theoretical calculations of the rate of nuclear capture of a negative muon are performed for the Kr isotopes. The experimental results are compared with the theoretical calculations. Pis’ma Zh. éksp. Teor. Fiz. 67, No. 5, 302–307 (10 March 1998)