Kerr effect of molecular oxygen at λ=1064 nm

We report a new measurement of the Kerr effect of molecular oxygen at λ= 1064 nm. The experimental value reported for the anisotropy of the index of refraction Δ n_u^l, (3.15±0.85)×10^-25 m² V^-2 atm^-1, is in good agreement with the value of 3.4×10^-25 m² V^-2 atm^-1 obtained via an ab initio calculation. We show that the dependence of the effect on the pressure is not linear because of the presence of a collision-induced absorption band around 1060 nm due to the transition from the X³ Σ^-_g ground state to the ¹Δ_g state. We also give the value of the quadratic anisotropy Δn_u^q (-1.03±0.68)×10^-25 m² V^-2 atm^-2. We finally compare our ab initio theoretical and experimental results with previous existing data.     

Emission spectra and stimulated emission characteristics of [N<Subscript>2</Subscript>]<Subscript>2</Subscript>−N<Subscript>2</Subscript> molecular dimer

It has been proved byab initio calculation and theoretical analysis that there exist [N₂]₂−N₂ molecular dimers with D_2h symmetry group, and there also exists an electric dipole excimer-like transition a¹B_2g→a¹B_3u. The theoretical spectra accord with the experimental results for transition a¹B_2g→a¹B_3u. The stimulated emission characteristic of N₂ molecular dimer was researched through the microwave excited highly pure nitrogen and the method of amplified spontaneous emission. The experimental results show that N₂ molecular dimer has stimulated emission characteristics when the microwave power is more than 100 W and the N₂ pressure is in the range from 260 Pa to 2200 Pa.     

Perturbations in the rotational structure of the 4<Emphasis Type="Italic">p</Emphasis> complex of H<Subscript>2</Subscript> molecule terms

A statistical analysis of all the available data on the wave numbers of spectral lines related to triplet-triplet electronic-vibrational-rotational (rovibronic) radiation transitions into the H₂ molecule (1sσ2sσ) a ³Σ _g ⁺ electronic state was performed for the first time. This allowed us to check and refine the controversial identification of several spectral lines. Optimum rovibronic term values were found for 15 electronic states, including the (4pσ)f ³Σ _u ⁺, (4pπ)k ³Π _u ⁺, and (4pπ)k ³Π _u ⁻ states studied in this work. The ratios between the oscillator strengths of R- and P-branch lines with common upper levels (branching coefficients) for the f ³Σ _u ⁺ → a ³Σ _g ⁺ and k ³Π _u ⁺ → a ³Σ _g ⁺ systems of H₂ molecule bands were measured for the first time. Substantial deviations of the measured branching coefficients from the corresponding ratios between the Henl-London factors were observed. The deviations monotonically increased as the rotational quantum number N grew, which, in combination with substantial Λ-doubling in the k ³Π _u state, was evidence of an important role played by electronicrotational interaction in the 4pσ³Σ _u ⁺ and 4pπ³Π _u ⁺ adiabatic electronic states. A strong correlation was observed between the N dependences of branching coefficients for transitions from the mutually perturbed f ³Σ _u ⁺ and k ³Π _u ⁺ electronic states. The results of this work show that the measured branching coefficients are a much more sensitive and capacious channel of information about perturbation effects than rovibronic term values.     

Calculation of the quenching rate constants for electronically excited singlet molecular nitrogen

The quenching rate constants for the singlet states (a′)⁽¹⁾Σ _u ⁻ (v = 1−17), a ⁽¹⁾Π _g (v = 0−14), and w ⁽¹⁾Δ _u (v = 0−13) of molecular nitrogen colliding with an N₂ molecule are calculated using quantum-chemical approximations. It is shown for the first time that both the intramolecular and intermolecular processes of electronic excitation transfer are significant for these states. Calculated rate constants are in satisfactory agreement with experimental data.     

Mixing of excitonic states containing light and heavy holes in an isolated GaAs/AlGaAs quantum well in a magnetic field

The Zeeman splitting of the ground states 1s(hh) and 1s(lh) of excitons with heavy and light holes, respectively, in a 15-nm isolated Al_0.3Ga_0.7As/GaAs quantum well in magnetic fields of up to 20 T is investigated according to the photoluminescence excitation spectra in the Faraday geometry (σ⁺− σ⁻ components). The observed anomalous pattern of nonlinear Zeeman splitting and the nonmonotonic behavior of the effective hole g factor are interpreted in terms of the strong mixing of the magnetoexcitonic states containing light and heavy holes. Pis'ma Zh. éksp. Teor. Fiz. 64, No. 1, 52–56 (10 July 1996)     

Investigation of the excitation of metastable states of 197Pt and 197Hg in (γ, n) and (d, 2n) reactions

The isomeric ratios of the ^197m,g Pt and ^197m,g Hg yields in the respective (γ, n) reactions are measured for the first time in the energy range 8–17 MeV. The isomeric ratios σ _m/σ_g for ^197m,g Hg in the (d, 2n) reaction are measured in the energy range 8–50 MeV. The experimental data are compared with the results of theoretical calculations. The effect of the structure of low-lying states and of the yrast line on the behavior of σ _m/σ_g is revealed. __________ Translated from Yadernaya Fizika, Vol. 67, No. 5, 2004, pp. 899–905. Original Russian Text Copyright ? 2004 by Zheltonozhsky, Mazur, Bigan.     

Coupled ab initio potential energy surfaces for the two lowest 2A′ electronic states of the C2H molecule

Realistic two-valued potential energy surfaces for the reaction C(³P) + CH(X²Π) → C₂ + H have been constructed from a set of high level ab initio data describing the first two ²A′ electronic states of the C₂H system. These states have linear equilibrium configurations, known as the X ²Σ⁺ and A²Π states, and are coupled by a conical intersection. They lead to the formation of C₂(X¹Σ⁺ _g) and C₂(a³Π_u) considering an adiabatic dissociation process. The ab initio calculations are of the multireference configuration interaction variety and were carried out using a polarized triple-zeta basis set. Using the ab initio adiabatic energies and the matrix elements of the dipole moment, a 2 × 2 diabatic representation of the electronic Hamiltonian was built. Each element of this Hamiltonian matrix was expressed within the double many-body expansion (DMBE) scheme which is based, in this case, on the extended Hartree-Fock approximate correlation energy model (EHFACE). The analytical adiabatic potential energy surfaces are then obtained as the eigenvalues of this matrix, and display correctly the Σ/Π conical intersection. Moreover, the non-adiabatic couplings given by our analytical model are compared with the ab initio ones, and good qualitative agreement is observed.     

Satellite peaks in the high energy photoelectron spectra of some small first row molecules

The gas phase high energy photoelectron spectra of CH₄, NH₃, H₂O, N₂, O₂, CO and CO₂ have been recorded, and in all cases weak satellite peaks to high binding energy of the main ionization peak are observed. These peaks are assigned to transitions to ionic states in which valence electron excitation as well as core ionization has occurred. The intensity and position of these peaks, relative to the main ionization peak have been estimated from ab initio UHF calculations on the core hole states, which in general allow assignment of the satellite peaks in terms of orbital transitions of the core hole ion.     

Studies on the analytical potential energy function of diatomic molecular ion XY<Superscript>+</Superscript> using variational method

A new analytical potential energy function for diatomic molecular ion XY⁺ is proposed based on the energy consistent method (ECM). The Coulomb potential included in the new ionic potential contains multipole corrections, converges quickly and is variationally, changeable. The new potential and the ECM are applied to variationally studying the potential energies of eight electronic states of several diatomic molecular ions: the A²π state of CO⁺, the X²∑_g⁺ state of Li₂⁺, the X²∑_g⁺ state of He₂⁺, the 1²∏_u state of Na₂⁺, the A²∏_u state of N₂⁺, the X¹∑⁺ state of KrH⁺, the X²∑⁺ state of SiO⁺ and the A²π state of SO⁺ ion. The present results agree excellently with the experiment-based Rydberg-Klein-Rees (RKR) potentials, and are superior to the commonly used Huxley-Murrell-Sorbie (HMS) analytical potentials, and are better in some cases than some quantum mechanicalab initio potentials in the ionic asymptotic and dissociation regions.     

Charmonium suppression by gluon bremsstrahlung in p-A and A-B collisions

Prompt gluons are an additional source for charmonium suppression in nuclear collisions, in particular for nucleus-nucleus collisions. These gluons are radiated as bremsstrahlung in N-N collisions and interact inelastically with the charmonium states while the nuclei still overlap. The spectra and mean number <n _g> of the prompt gluons are calculated perturbatively and the inelastic cross section σ_abs ^Ψg is estimated. The integrated cross sections σ(A B →J/ψX) for p-A and A-B collisions and the dependence on transverse energy for S-U and Pb-Pb can be described quantitatively with some adjustment of one parameter <n _g>σ_abs ^Ψg. Received: 20 August 1999     

(T1u+T1g)⊗(hg+τ1u)vibronic interaction and superconductivity in C 60 n− fullerides

The closeness of low-lying T_1u and T_1g levels of C ₆₀ ⁻ could enable their mixing under an odd parity vibration of (T_{1 u} + T_{1 g} ⊗ (h_g + τ_{1 u})type. In addition, the two levels are susceptible to Jahn-Teller interaction due to five-fold degenerate h_g vibrations. This complex problem of (T_1u+T_1g)⊗(h_g+τ_1u) vibronic interaction is transformed to a form similar to T_2g ⊗ (ε_g + τ_2g) vibronic problem of octahedral symmetry. The problem is analysed in an infinite coupling model and compared with the experimental spectroscopic results for the C ₆₀ ⁻ radical. The resulting parameters are used to calculate the pair-binding energy and superconducting transition temperature in C ₆₀ ⁿ⁻ fullerides. Vibronic mixing with the T_1g level is found to be responsible for maximising the pair-binding energy at the doping level n=3. It is also found to be an important source of T_c enhancement.     

Calculation of spectroscopic constants and radiative parameters for A1Σ u+ -X1Σ g+ and B1Πu-X1Σ g+ electronic transitions of sodium dimer

Vibrational, rotational, and centrifugal spectroscopic constants and radiative parameters, i.e., the Einstein coefficients, oscillator strengths, and wave numbers for vibrational transitions in electronic systems of bands A ¹Σ _u ⁺-X ¹Σ _g ⁺ (0 ≤ v′ ≤ 25; 0 ≤ v″ ≤ 44), B ¹Π _u -X ¹Σ _g ⁺ (0 ≤ v′ ≤ 29; 0 ≤ v″ ≤ 47), and the radiative lifetimes for the vibrational levels of excited states of the sodium dimer, are calculated. The calculations are carried out based on semiempirical potential curves constructed in this study. The calculated spectroscopic constants and radiative lifetimes are compared to the experimental values.     

Probable location of a 1E2g state of the benzene molecule

Photoexcitation spectra of benzene in rare gas matrices show a previously unreported transition near 46000 cm^?1. The observed bands are not explicable in terms of site splittings, impurity states, aggregation effects, intermediate radius states of the matrix, triplet states, excimer states, exciplex states or $\text{σ-π}{}^1$ transitions. The vibronic spacings in these spectra could be those expected for a ¹E_2g ← ¹A_1g transition and on this and other evidence we argue that the ordering of origins of the first four spin allowed intravalence states of benzene is ¹B_2u (38086 cm^?1), ¹E_2g (near 46400 cm^?1), ¹B_1u (48450 cm^?1) and ¹E_1u (55430 cm^?1). Our data also show that the transition ¹B_1u ← ¹A_1g accounts for most of the intensity of the 210 nm absorption band system. Our ordering of the spin allowed states permits interpretation of experimental data of others, confirms certain semi-empirical and ab initio SCF MO CI calculations in which account is taken of higher excitations and illustrates the necessity of including such higher excitations. The intensity of the ¹E_2g ← ¹A_1g transition is at least an order of magnitude less than previously calculated indicative of the difficulty of choosing suitable wavefunctions for the ¹E_2g state and of calculating “forbidden” transition probabilities.     

Electronic branching ratios of spontaneous emission for transitions between states of the 3d and 2p singlet complexes of terms of H2

The ratios of probabilities (the electronic branching ratios) for the rovibronic spontaneous transitions are for the first time measured for transitions from the rotational levels with J′≤6 of the I ¹Π _g ^? , v′=0–2 and J ¹Δ _g ^? , v′=0 states to the vibrational-rotational levels of different low-lying electronic states B ¹Σ _u ⁺ , v″, J′ and C ¹Π _u ^? , v?, J′?1 of the H₂ molecule (for the vibrational quantum numbers v″≤4 and v?≤2). Values of these quantities provide a new channel of information on the internal structure of the hydrogen molecule thus far unused and should be particularly sensitive to the adiabatic values of the electronic transition dipole moments. In studying the entire set of rovibronic radiative transitions, they may significantly add to the experimental data on rovibronic terms, radiative lifetimes, and vibrational and rotational branching ratios used before. The experimental data obtained are compared to the corresponding values derived from the results of an earlier semiempirical determination and ab initio calculation of the absolute transition probabilities. Our experimental data are in remarkable agreement with the semiempirical results and significantly differ from the ab initio results. This fact directly suggests the necessity of performing more accurate ab initio calculations of the rovibronic transition probabilities for the given systems of bands.     

Speed and shape of large-amplitude solitary waves in ion-beam plasma system

Large-amplitude solitary waves are investigated in ion-beam plasma system. The Sagdeev’s pseudopotential is determined in terms of the ion speedu. It is found that there exists a critical value ofu ₀, the value ofu at (u′)² = 0, beyond which the solitary waves cease to exist. The critical value also depends on σ (the ion temperature) or σ_b (the ion beam temperature). One of the author (PC) is grateful to UGC, India for the financial support under SAP(No F.510/8/DRS/2004(SAP-1)).     

Singlet-triplet pseudo Jahn-Teller centers in copper oxides

One of the most interesting attributes of a hole CuO ₄ ⁵ center in doped cuprates is the complexity of the ground state as a result of electronic pseudodegeneracy. An extra hole injected into the initial CuO ₄ ⁶ cluster with a b _1g hole can occupy not only the very same hybrid Cu 3d-O 2p orbital state, producing a Zhang-Rice A _1g singlet, but also the pure oxygen e _u state, generating a singlet or triplet ^1,3 E _u term, with close energies. The pseudo Jahn-Teller effect induced by pseudodegeneracy of the singlet ¹ A _1g and ¹ E _u terms is analyzed in detail. Fiz. Tverd. Tela (St. Petersburg) 40, 1795–1804 (October 1998)     

Singlet molecular nitrogen in the Auroral ionosphere and under the conditions of laboratory discharge

Using the suggested model of the electron kinetics of N₂ singlet states, the population of the vibrational levels in the molecular nitrogen states (a′)¹Σ _u ⁻, a ¹Π _g , and w ¹Δ _u is calculated for the case when fast auroral electrons penetrate into the Earth’s ionosphere. It is shown for the first time that the population distribution of the vibrational levels v = 0−6 in the state a ¹Π _g in the auroral ionosphere and also in a laboratory discharge varies with atmospheric pressure insignificantly. Similar calculations for pure nitrogen atmosphere show a considerable increase in the populations of lower vibrational levels (v = 0−2) with rising pressure.     

The Moduli of Flat PGL(2,ℝ) Connections on¶Riemann Surfaces

Suppose X is a compact Riemann surface with genus g>1. Each class [σ] ∈ Hom(π₁(X),PGL(2,ℝ))/PGL(2,ℝ) is associated with the first and second Stiefel–Whitney classes w ₁([σ]) and w ₂([σ]). The set of representation classes with a fixed w ₁≠ 0 has two connected components. These two connected components are characterized by w ₂ being 0 or 1. For each fixed w ₁≠ 0, we prove that the component, characterized by w ₂= 0, contains an open dense set diffeomorphic to the total space of a vector bundle of rank 2g−2 over a once punctured algebraic torus of dimension g−1. The other component, characterized by w ₂= 1, contains an open dense set diffeomorphic to the total space of a vector bundle of rank 2g−2 over an algebraic torus of dimension g−1. Received: 2 January 1997 / Accepted: 28 November 1998     

Multiphoton ionization of molecules under the conditions of strong field-induced perturbation of Rydberg states

Multiphonon ionization of the H₂ molecule under the action of a weak (probe) field, which provides the initial population of the low-lying (working) level, and intense monochromatic linearly polarized radiation is studied. The multiphoton ionization process occurs under the conditions of strong field perturbation of two intermediate Rydberg series, np0(¹Σ _u ⁺ and np2(¹Π_u), of the optical R(0)branch which have different ionization potentials. The series are occupied simultaneously as a result of single-photon absorption by an excited H ₂ ^* molecule in the working state 4s σH′¹Σ _g ⁺ (v=0). As a result of the irregularity in the arrangement of the intermediate levels from a large group of states that are combined in the multiphoton ionization process a sharp and irregular change occurs in the dependence of the shifts and widths Γ_n of the levels on the intensity f of the strong field in a transition from one level to another. It is shown that for field intensities f such that the level widths remain much less than the splitting between the levels (Γ_n≪/n ³) the stabilizing effect (i.e., the field-induced narrowing of the levels as f→∞) in the form Γ_n ∝ 1/f ² (as happens in atoms with a structureless core) is not observed in molecular systems. Zh. éksp. Teor. Fiz. 115, 1987–2000 (June 1999)