Some internal background processes impeding the observation ofP-odd effects in the one-photon 2s→1s transition of muonic neon

The weak interaction of neutral currents of the negative muon and nucleons leads to the appearance of observableP-odd correlations in the one-photon 2s→1s transition of light μ-atoms. Muonic neon was found to be one of promising μ-atoms for observing these correlations. It must be prepared under specific conditions so that its electron shell contains noL-electrons during the 2s- orbit lifetime (～0.1 ns). The presence ofK-electrons is permissible. Here we have considered three processes impeding the observation of the one-photon 2s→1s transition for such a situation. They are other decay channels of the same 2s-state. The first is the cascade of the radiative 2s→2pj (j=1/2, 3/2) and 2pj→1s transitions of the muon. The second is the radiation of one photon in the 2s→1s transition accompanied by exciting the electron shell. The third is also the one photon radiation but it is accompanied by ionizing the shell. The energies of photons radiated in these processes are close to the 2s→1s transition energy. Moreover, they actually carry no information on the weak interaction. Thus, the given photons form the internal background in observing the one-photon transition. We have calculated the intensities of these photons, their circular polarization and angular correlations between the momenta of one of them and a hard electron emitted in the μ-decay at the 1s-orbit. The results obtained show theP-odd effects in the angular distribution and circular polarization of the photons of the 2s→1s transition appear to be more preferable for measuring than the ones in angular photon-electron correlations.     

On the electron transfer in low-energy collisions of the fully-ionized muonic boron with helium atoms

In connection with recent experiments on the observation of the metastable 2s state of muonic boron (μB)⁴⁺ formed in helium with a small admixture of diborane (B₂H₆) we estimated the cross-section of the electron transfer from helium to the muonic ion. The collisions energy T was considered to lie between the thermal energy and 1 a. u. The muonic ion (μB)⁴⁺ was treated as a heavy beryllium isotope Be4+. It was found that the main reaction responsible for the electron transfer at the energies specified above was: Be⁴⁺ + He → Be³⁺(1s) + He²⁺ + e^-. . Its mechanism is the Auger effect in the two-electron quasi-molecule (Be-He)⁴⁺. In our estimation of its cross-section we used adiabatic quasi-molecular terms obtained by diagonalizing the electronic Hamiltonian on a basis of several diabatic states constructed from two-centre orbitals. The electronic wavefunctions built with this way were employed to calculate Auger effect rates. The outgoing electron was treated to be free. The relative motion of the nuclei was considered classically. It was found that in the region 0.001 ≤ T ≤ 0.01 (in atomic units) the cross-section was a decreasing function of T and it was small (～ 10^-2 Ų). Then it starts to increase and mounts to typical atomic values (1 Ų) at T = 1 ÷ 2. The comparison of the reaction rate constant estimated on the basis of the obtained cross-section with experimental results establishes the upper limit of the energy of muonic boron during the 2s state lifetime (≈ 40 ns). It proves to be about 25 eV. This limit is in agreement with the typical value of 1 eV resulting from the energy transfer in the muon capture by the diborane molecule and the recoil energy acquired in the cascade. However, it does not exclude the possibility of an additional acceleration of muonic boron during its formation in the molecule.     

Using 4-methyl-4-phenyl-2-pentanone as a singlet probe of benzene,cyclohexane, tributylphosphate and its multiple scavenger effects

A special probe of excited singlet states was established. The Norrish type II elimination reaction of 4-methyl-4-phenyl-2-pentanone (MPP) induced by γ-rays was reinvestigated. By measuring the G value of the sensitization radiolytic product α-methylstyrene (α-MS), we obtained the G value of excited singlet states. It was found that the G value of benzene excited singlets is 1.4±0.2, the rate constant of excitation energy transfer from benzene excited singlets to MPP is (5.2±0.5)×10⁹dm³mol^-1s^-1; the G value of excited tributylphosphate singlets is 1.4±0.3, the lifetime of its excited singlets is (1.3±0.1)×10^-7s; the G value of excited cyclohexane singlets is 1.5±0.2, the rate constant of excitation energy transfer from cyclohexane excited singlets to MPP is (4.1±0.4)×10¹⁰dm³mol^-1s^-1. It was found that MPP has multiple effects in quenching the active species formed in the radiolysis of benzene and tributylphosphate, both excitation energy transfer and reaction with subexcitation electrons have occured. A yield of subexcitation electrons of benzene 4.0, that of tributylphosphate 5.0, was obtained. The kinetics of both processes were also discussed.     

Two-photon ionization of an inner shell electron of the Cl atom

We have calculated, using second order perturbation theory, the two photon ionization cross section of a K-shell electron of chlorine forE=1.6 keV incident photons. Two classes of intermediate states must be considered, those in which a 1s electron moves to an emptyp-orbital, and those in which an electron from an occupiedp-orbital moves into the continuum. The first class of intermediate states is followed by the ejection of ap-electron into the continuum. The second class of intermediate states is followed by the transfer of a 1s electron into an emptyp-state. The largest contribution comes from 3p →d-continuum followed by 1s → 3p transition. Our result is σ⁽²⁾/I=2.06×10⁴¹ cm⁴/W where σ⁽²⁾ is the two photon ionization cross-section andI is the light intensity.     

A role of the hyperfine interaction of the negative muon and an electron shell in formingP-odd correlations in the muonic ion μ20 Ne

The weak interaction of neutral currents of the negative muon and nucleons results in arisingP-odd correlations in the radiative 2s→ 1s muon-ion transition. At the present paper we consider how the hyperfine muon-electron interaction influences forming these correlations in the muonic ion μ²⁰ Ne with oneK-electron. It is shown that the general form of expressions describing aP-odd asymmetry of an angular distribution of the quanta and their circular polarization does not depend on electron configurations. On the other hand such dependence takes place for expressions describing an angular correlation between the momenta of the quantum and the hard electron emitted in the μ-decay process at the 1s-orbit. Therefore we think that measuring theP-odd asymmetry of the angular distribution is the preferable experiment for studying the neutral currents interaction. The spin polarization of the muon at the 2s-orbit can be obtained by measuring the circular polarization of the quanta in the same experiment.     

Muon transfer from mesic hydrogen to lithium and the atomic intershell correlations

The rates of the molecular muon transfer from mesic hydrogen to lithium are calculated. The obtained rates are of the order of magnitude 10⁶ s^?1. It is shown, that taking into account the intershell correlations results in a considerable change in the reaction rates for some isotope mixtures. The experimental study of the muon transfer can yield an information about the contribution of the intershell correlations to the rate of the process.     

Optical detection of nuclear spin polarization via cross relaxation in A p-dibromobenzene single crystal

Spin polarization of ⁸¹Br (I = $\text{3}\text{2}$) nuclei is achieved via cross relaxation between electronic spins of the excited triplet state of a quinoxaline guest molecule and nuclei on neighbouring molecules in a p-dibromobenzene host crystal. The cross relaxation rate is of the order of 10⁶ s^?1 and is driven by the intermolecular hyperfine interaction. Additionally, NQR transitions have been induced in the single ground state and have been optically detected by means of an optical pumping cycle involving nuclear spin polarization.     

Theoretical investigation of the low-lying electronic states of the alkaline hydride BeH2+ ion: Potential energy curves, spectroscopic constants, vibrational levels, and transition dipole functions

The structure and spectroscopic properties of the alkaline hydride BeH²⁺ ion have been investigated using an ab initio approach based on nonempirical pseudopotentials and parameterized l-dependent polarization potentials. The adiabatic potential energy curves and their spectroscopic constants for the ground and seventeen excited electronic states, dissociating into Be⁺(2s, 2p, 3s, 3p, 3d, 4s, 4p, and 4d) + H⁺ and Be²⁺ + H(1s and n = 2), of ²??⁺, ²??, and ²?? symmetries have been determined. As no experimental data are available, our results are discussed and compared with the few existing theoretical calculations. A very good agreement has been found with the previous theoretical data for the ground state; however many potential energy curves for the higher excited states are presented here, for the first time. Numerous avoided crossings between electronic states for ²??⁺ and ²?? symmetries have been localized and analyzed. Their existence is related to the interaction between the electronic states and to the charge transfer process between the two ionic systems Be²⁺H and Be⁺H⁺. In addition, we have calculated the vibrational energy level spacings of the bound electronic states. Furthermore, the adiabatic transition dipole functions from the X ²??⁺ and 2²??⁺ states to the higher excited states of ²??⁺ and ²?? symmetries have been evaluated and compared with the available theoretical work. This study represents the necessary initial step towards the investigation of the charge transfer processes in collision between Be⁺-H⁺ and Be²⁺-H.     

Long-distance electron transfer from a triplet excited state

Electron transfer from the triplet excited state of N,N,N',N'-tetramethylphenylene diamine to phthalic anhydride has been monitored by phosphorescence emission decay. The kinetics of the transfer process were observed directly and the rate constant depends exponentially on the reacting distance, k(r) = 1 × 10⁴ exp(−0.58r) s⁻¹. The electron transfer rate has been found to be invariant over the temperature interval 77–143 K.     

The Lamb shift of excited S-levels in hydrogen and deuterium atoms

A specific combination of s-state Lamb shift ΔE _L(1s _1/2)-n ³ΔE _L(ns _1/2) is considered. Its value is calculated both in the hydrogen and deuterium atoms for n up to 12. The result includes all correction which can contribute more than 1 kHz, particularly the one-loop corrections for both the self energy and the vacuum polarization, and the two-loop contribution. Nuclear finite-size corrections for the isotopic difference of the combination are also evaluated.     

One-way isomerization and internal rotation in anthrylethylenes in the excited triplet state

1-(2-Anthryl)-2-(bromophenyl)ethylene and 1-(2-anthryl)-2-(4-methoxyphenyl)ethylene undergo cis→trans one-way isomerization in the excited triplet state through an adiabatic process from the cis-triplet to the trans-triplet states. The trans-isomers of these compounds undergo one-way internal rotation in the excited triplet state with an activation barrier of }7 kcal mol^?1 and a frequency factor of }10¹² s^?1, while no internal rotation takes place in the excited singlet state.     

On the photoexcitation of the 2s→2p transition in light muonic atoms

It is known that the energy of the 2s→2p transition of light μ-atoms can be precisely measured by laser spectroscopy. Such measurements provide a good test of quantum electrodynamics predictions. Here we consider how the hyperfine muon-nucleus interaction effects on the photoexcitation of this transition and on the subsequent X-rays emission. Besides the obvious change of the transition energy the hyperfine interaction mixes the 2p 1/2 and 2p 3/2 orbits. This mixing is rather effective in μ-atoms of¹H,⁷Li,⁹Be,¹⁰B and¹¹B. Its taking into account changes the photoexcitation cross-section of electric dipole transitions between the hyperfine components of the 2s and 2p orbits and an angular X-rays distribution as well. These changes prove to be considerable for some transitions. For example, in μ²H and μ⁷Li the cross-section is decreased by factors of two and four respectively. In μ⁹Be it is increased by a factor of two. Moreover, in μ¹H the angular X-rays distribution becomes more anisotropic. Besides the above subject one more question is discussed here. The fact is that the laser experiments can give an information on the residual muon spin polarization at the 2s orbit and on the degree of alignment of the angular μ-atom momentum in this state. The polarization can be determined by measuring an angular correlation between the X-rays emission direction and the momentum of a hard μ-decay electron. The alignment degree can be found by measuring an anisotropy of the angular X-rays distribution.     

Bonding in the ground state and excited states of copper-alkene complexes

The ground state and ¹B₂ excited state of Cu(C₂H₄)⁺ and of CuX(C₂H₄) (X  F, Cl) have been investigated by the Hartree-Fock-Slater (HFS) method. The main metal-ligand interactions in the ground state are ethene π → Cu 4s donation and Cu 3d_π → ethene π^* backdonation, which have comparable contributions to the metal-ligand bond strength. The excitation of CuX(C₂H₄) does not involve an alkene π → metal charge transfer (LMCT), but instead is metal 3d → alkene π^* charge transfer (MLCT) in character. The implications for the photochemistry of olefin-copper(I) complexes are discussed.     

The hyperfine muon-nucleus interaction andP-odd effects in the one-photon 2s → 1s transition of light muonic atoms

The weak interaction of neutral currents of the negative muon and a nucleus results inP-odd correlations in the one-photon 2s → 1s transition of light muonic atoms. If the standard electroweak model is used, the weak mixing of hyperfine components of the μ-atom 2s and 2p 1/2 orbits makes the main contribution to these correlations. A new mechanism of acting the hyperfine structure on theP-odd correlations is considered in the present work. The fact is that the hyperfine muon-nucleus interaction mixes the 2p 1/2 and 2p 3/2 orbits effectively in light muonic atoms whose nuclei have large quadrupole moments. As a result, two new sublevels arise for each of two valuesF _±=(I ± 1/2) of the total angular μ-atom momentum (I is the nuclear spin). The contributions of these sublevels to theP-odd correlations can be comparable with each other. The most strikes manifestation of the given effect occurs for berillium and boron, where the 2s and 2p 3/2 orbits may have close energies. Taking the above effect into account can lead to considerable modification of results against earlier calculations. In particular, theP-odd correlations can vanish and change sign. They can be additionally increased by a factor of several tens.     

Quantum chemical ab initio calculations for excited states of F IV

Quantum chemical ab initio calculations have been performed for the ground state and for several excited states of the F³⁺ ion (F IV). Three levels of accuracy have been used: Frozen-core SCF calculations (FRC-SCF) to determine orbital energies ε _nl and quantum defects δ _l for excited Rydberg orbitalsnl; frozen-core SCF followed by CI calculations (FRC-CI) which account for multiplet splittings and configuration mixings, and multi-configuration coupled-electron-pair approximation (MC-CEPA) calculations which include dynamic correlation effects. The accuracy of the calculated excitation energies is in the order of 5000 cm^?1 at the FRC-CI level and in the order of 500 cm^?1 at the MC-CEPA level. This latter error amounts to about 0.1% for excitation energies in the range of 400000 to 600000 cm^?1. The MC-CEPA calculations have been performed for 17 experimentally known states and for 14 experimentally unknown states, in particular for the configurations 2s2p ² (² D)3s, 2s 2p ²(² S)3s, 2s ² 2p 4p, and 2s ² 2p 5p.     

HFS constants of Be I 1s22s2p 3p0, B I 1s22s2p24P and B I 1s22s2p22D obtained from the non-closed shell many-electron theory for excited states

Using the non-closed shell many-electron theory for excited states of Sinano?lu we compute the hyperfine structure constants of Be I 1s²2s2p ³P⁰, B I 1s²2s2p²⁴P and B I 1s²2s2p²²D. The quadrupole moment of ⁹Be is also newly determined to be, Q = 0.05494 barns.     

Excitation transfer between upper Se+ levels in a positive column He-Se+ laser

The rate coefficients for collision induced transitions from a laser level to neighboring levels of active medium particles are theoretically connected with the intensity of the spontaneous emission originating from these levels and its variation due to 100% modulation of the laser oscillation. The levels pertaining to the configuration 4s ² 4p ²(² P)5p of Se² are explored at conditions of operation of a positive column He-Se⁺ laser. Normalized population transfer rate coefficients are defined. Their values are obtained based on the measured spontaneous emission intensity and its variation. The dominating partners for the mixing collisions with excited selenium ions are suggested as Se⁺, Se and He⁺ in contrast with the free electrons and helium atoms.     

Large-scale MCHF calculations of hyperfine structures in nitrogen and oxygen

The hyperfine structure constants for the 1s ²2s ²2p ³ -⁴ S ^o ground state in nitrogen and the 1s ²2s ²2p ³3s ⁵ S ^o excited state in oxygen are calculated using the MCHF Atomic Structure Package. The single excitation picture is explored through the use of compact wave functions allowing radial non-orthogonalities. Electron correlation is described through numerical multiconfiguration Hartree-Fock calculations for configuration expansions obtained by allowing all single and double excitations from the reference configuration to an active set of orbitals. The latter is increased in a systematic way allowing the convergence of the hyperfine parameters to be studied. Three- and four-particle effects are shown to be important and are taken into account in a sequence of large configuration interaction calculations. The final results are in good agreement with experiment.     

Excitation transfer in collisions of highly excited alkali atoms. I. Cesium-noble gases collisions

The mechanisms of intramultiplet mixing and intermultiplet transitions in a highly excited cesium atom, induced by collisions with inert gas atoms, are discussed. It is argued that the crossing of the excited ²Π-molecular state by the repulsive ²Σ-state provides the main channel for nonelastic events. Estimated cross sections are in disagreement with available experimental data.