Population coherent control of a Rydberg sodium atom in a microwave field

The B-spline expansion technique and the time-dependent multilevel approach (TDMA) are used to study the interaction between a microwave field and sodium atoms. The Rydberg sodium atom energy levels of p states in zero field are calculated, and the results are in good agreement with the other theoretical ones. The time evolutions during the population transfers of the five states from n = 75 to n = 79 in different microwave fields are obtained. The results show that the coherent control of the population transfer from the lower states to the higher ones can be accomplished by optimizing the microwave pulse parameters.     

Hyperfine structure of singly ionized lanthanum and praseodymium

Hyperfine structure spectra of singly ionized lanthanum and praseodymium have been measured by collinear fast-ion-beam laser spectroscopy.All the sepctral lines were resolved and the magnetic dipole and electric quadruple coupling constants of the metastable levels and excited levels were determined.Our results are in agreement with the published data within the experimental uncertainty,For praseodymium ions,the accuracy of the magnetic dipole coupling constants are improved by one order of magnitude compared with other published data,and the electric quadruple coupling constants are reported for the first time.     

Molecular properties and potential energy function model of BH under external electric field

Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other physical properties parameters are obtained. On the basis of setting appropriate parameters, scanning single point energies are obtained by the same method and the potential energy curves under different external fields are also obtained. These results show that the physical property parameters and potential energy curves may change with external electric field, especially in the case of reverse direction electric field. The potential energy function without external electric field is fitted by Morse potential, and the fitting parameters are obtained which are in good agreement with experimental values. In order to obtain the critical dissociation electric parameter, the dipole approximation is adopted to construct a potential model fitting the corresponding potential energy curve of the external electric field. It is found that the fitted critical dissociation electric parameter is consistent with numerical calculation, so that the constructed model is reliable and accurate. These results will provide important theoretical and experimental reference for further studying the molecular spectrum, dynamics, and molecular cooling with Stark effect.     

Dirac R-matrix calculations of photoionization cross sections of Ni Ⅻ and atomic structure data of Ni 

We performed R-matrix calculations for photoionization cross sections of the two ground state configuration 3s~23p~5(~2P_(3/2,1/2)~o) levels and 12 excited states of Ni Ⅻ using relativistic Dirac Atomic R-matrix Codes(DARC) across the photon energy range between the ionizations thresholds of the corresponding states and well above the thresholds of the last level of the Ni XIII target ion. Generally, a good agreement is obtained between our results and the earlier theoretical photoionization cross sections. Moreover, we have used two independent fully relativistic GRASP and FAC codes to calculate fine-structure energy levels, wavelengths, oscillator strengths, transitions rates among the lowest 48 levels belonging to the configuration(3s~23p~4, 3s3p~5, 3p~6, 3s~23p~33d) in Ni XIII. Additionally, radiative lifetimes of all the excited states of Ni XIII are presented. Our results of the atomic structure of Ni XIII show good agreement with other theoretical and experimental results available in the literature. A good agreement is found between our calculated lifetimes and the experimental ones.Our present results are useful for plasma diagnostic of fusion and astrophysical plasmas.     

Quantum pseudodots under the influence of external vector and scalar fields

We study the spherical quantum pseudodots in the Schr o¨dinger equation by using the pseudo-harmonic plus harmonic oscillator potentials considering the effect of the external electric and magnetic fields. The finite energy levels and the wave functions are calculated. Furthermore, the behavior of the essential thermodynamic quantities such as, the free energy, the mean energy, the entropy, the specific heat, the magnetization, the magnetic susceptibility, and the persistent currents are also studied by using the characteristic function. Our analytical results are found to be in good agreement with the other works. The numerical results on the energy levels as well as the thermodynamic quantities have also been given.     

Extreme ultraviolet and soft x-ray spectral lines in Rb ⅩⅩⅨ

An extensive theoretical set of atomic data for Rb XXIX in a wide range with L-shell electron excitations to the M-shell has been reported. We have computed energy levels for the lowest 113 fine structure levels of Rb XXIX. The fully relativistic multiconfigurational Dirac–Fock method(MCDF) within the framework of Dirac–Coulomb Hamiltonian taking quantum electrodynamics(QED) and Breit corrections into account has been adopted for calculations. Radiative data are reported for electric dipole(E1), magnetic dipole(M1), electric quadrupole(E2), and magnetic quadrupole(M2)transitions from the ground level, although calculations have been performed for a much larger number of levels. To assess the accuracy of results, we performed analogous calculations using flexible atomic code(FAC). Comparisons are made with existing available results and a good agreement has been achieved. Most of the wavelengths calculated lie in the soft x-ray(SXR) region. Lifetimes for all 113 levels have also been provided for the first time. Additionally, we have provided the spectra for allowed transitions from n = 2 to n = 3 within the x-ray region and also compared our SXR photon wavelengths with experimentally recognized wavelengths. We hope that our results will be beneficial in fusion plasma research and astrophysical applications.     

Transition probabilities and lifetimes of the low-lying levels of Fe XIV

The multi-configuration Dirac-Fock method is employed to calculate the transition energies,probabilities,and oscillator strengths for electric dipole allowed(E1) and forbidden(M1,E2,M2) lines for the 3s23p,3s3p2,3s23d,3p3,and 3s3p3d configurations of Fe XIV.The lifetimes of all 40 levels of these low-lying configurations are also derived.The valence-valence and core-valence correlation effects are accounted for in a systematic way.Breit interactions and quantum electrodynamics(QED) effects are estimated in subsequent relativistic configuration interaction(CI) calculations.The present results are in good agreement with other available theoretical and experimental values,and therefore can be used for the further astrophysical investigations.     

Electric dipolar interaction assisted growth of single crystalline organic thin films

We report on a forest-like-to-desert-like pattern evolution in the growth of an organic thin film observed by using an atomic force microscope. We use a modified diffusion limited aggregation model to simulate the growth process and are able to reproduce the experimental patterns. The energy of electric dipole interaction is calculated and determined to be the driving force for the pattern formation and evolution. Based on these results, single crystalline films are obtained by enhancing the electric dipole interaction while limiting effects of other growth parameters.     

Oscillator strengths for 22S--n2P transitions of the lithium isoelectronic sequence from Z = 11 to 20

The dipole-length, dipole-velocity and dipole-acceleration absorption oscillator strengths for the 1s22s-1s2np (3≤n≤9) transitions of lithium-like systems from Z=11 to 20 are calculated by using the energies and the multiconfiguration interaction wave functions obtained from a full core plus correlation method, in which relativistic and mass-polarization effects on the energy, as the first-order perturbation corrections, are included. The results of three forms are in good agreement with each other, and closely agree with the experimental data available in the literature. Based on the quantum defects obtained with quantum defect theory (QDT), the discrete oscillator strengths for the transitions from the ground state to highly excited states 1s2np (n≥10) and oscillator strength densities corresponding to the bound-free transitions are obtained for these ions.     

Theoretical study on K, L, and M X-ray transition energies and rates of neptunium and its ions

The transition energies and electric dipole （El） transition rates of the K, L, and M lines in neutral Np have been theoretically determined from the MultiConfiguration Dirac-Fock （MCDF） method. In the calculations, the contributions from Breit interaction and quantum electrodynamics （QED） effects （vacuum polarization and self-energy）, as well as nu- clear finite mass and volume effects, are taken into account. The calculated transition energies and rates are found to be in good agreement with other experimental and theoretical results. The accuracy of the results is estimated and discussed. Furthermore, we calculated the transition energies of the same lines radiating from the decaying transitions of the K-, L-, and M-shell hole states of Np ions with the charge states Np1＋ to Np6＋ for the first time. We found that for a specific line, the corresponding transition energies relating to all the Np ions are almost the same; it means the outermost electrons have a very small influence on the inner-shell transition processes.     

Theoretical investigation of the pressure broadening D_1 and D_2 lines of cesium atoms colliding with ground-state helium atoms

Full quantum mechanical calculations are performed to determine the broadening in the far wings of the cesium D_1 and D_2 line shapes arising from elastic collisions of Cs atom with inert helium atoms. The potential energy curves of the low-lying CsHe molecular states, as well as the related transition dipole moments, are carefully computed from ab initio methods based on state-averaged complete active space self-consistent field–multireference configuration interaction(SACASSCF–MRCI) calculations, involving the spin–orbit effect, and taking into account the Davidson and BSSE corrections.The absorption and emission reduced coefficients are determined in the temperature and wavelength ranges of 323–3000 K and 800–1000 nm, respectively. Both profiles of the absorption and the emission are dominated by the free–free transitions,and exhibit a satellite peak in the blue wing near the wavelength 825 nm, attributed to B~2Σ_(1/2)~+→ X~2Σ_(1/2)~+/transitions. The results are in good agreement with previous experimental and theoretical works.     

Extreme ultraviolet and x-ray transition wavelengths in Rb XXIV

Energy levels, radiative rates, oscillator strengths and line strengths are reported for transitions among the lowest 97 levels of the(1s22s22p6) 3s23p2, 3s23p3 d, 3s3p3, 3p4, 3s3p23 d, and 3s23d2 configurations of Rb XXIV. A multiconfiguration Dirac–Fock(MCDF) method is adopted for the calculations. Radiative rates, oscillator strengths, and line strengths are provided for all electric dipole(E1), magnetic dipole(M1), electric quadrupole(E2), and magnetic quadrupole(M2)transitions from the ground level to all 97 levels, although calculations are performed for a much larger number of levels.To achieve the accuracy of the data, comparisons are provided with similar data obtained from the Flexible Atomic Code(FAC) and also with the available theoretical and experimental results. Our energy levels are found to be accurate to better than 1.2%. Wavelengths calculated are found to lie in EUV(extreme ultraviolet) and x-ray regions. Additionally, lifetimes for all 97 levels are obtained for the first time.     

Population coherent control of Rydberg potassium atom via adiabatic passage

The time-dependent multilevel approach(TDMA) and B-spline expansion technique are used to study the coherent population transfer between the quantum states of a potassium atom by a single frequency-chirped microwave pulse.The Rydberg potassium atom energy levels of n=6-15,l=0-5 states in zero field are calculated and the results are in good agreement with other theoretical values.The time evolutions of the population transfer of the six states from n=70 to n=75 in different microwave fields are obtained.The results show that the coherent control of the population transfer from the lower states to the higher ones can be accomplished by optimizing the microwave pulse parameters.     

Configuration interaction calculations on the spectroscopic and transition properties of magnesium chloride

The potential energy curves(PECs) of 14 Λ–S states for magnesium chloride(Mg Cl) have been calculated by using multi-reference configuration interaction method with Davidson correction(MRCI + Q). The core-valence correlation(CV), scalar relativistic effect, and spin–orbit coupling(SOC) effect are considered in the electronic structure computations.The spectroscopic constants of X~2Σ~+ and A ~2Π states have been obtained, which are in good agreement with the existing theoretical and experimental results. Furthermore, other higher electronic states are also characterized. The permanent dipole moments(PDMs) of Λ–S states and the spinorbit(SO) matrix elements between Λ–S states are also computed. The results indicate that the abrupt changes of PDMs and the SO matrix elements are attributed to the avoided crossing between the states with the same symmetry. The SOC effect is taken into account with Breit–Pauli operator, which makes the 14Λ–S states split into 30 ? states, and leads to a double-well potential of the ? =(3)1/2 state. The energy splitting for the A2Π is calculated to be 53.61 cm~(-1) and in good agreement with the experimental result 54.47 cm~(-1). The transition dipole moments(TDMs), Franck–Condon factors(FCFs), and the corresponding radiative lifetimes of the selected transitions from excited ? states to the ground state X~2Σ + 1/2 have been reported. The computed radiative lifetimes τν of low-lying excites ? states are all on the order of 10 ns. Finally, the feasibility of laser cooling of Mg Cl molecule has been analyzed.     

Relativistic Configuration Interaction Calculations on Kα X-Ray Satellites of Manganese

With contributions from Breit interaction, quantum electrodynarnics （QED） corrections and nuclear mass corrections to the initial and final levels are taken into account. The transition energies, transition probabilities, and absorption oscillator strengths of Kα x-ray from Mn XVII to Mn XXIV have been calculated by using relativistic configuration interaction （RCI） and multi-configuration Dirac Fock （MCDF） method in the active interaction approach. Compared with the only available experimental transition data on He-like and Li-like manganese, the present results are in good agreement with them, and the rest of transition data of the present results are new ones. These wide range data can provide useful parameters for the study of the manganese plasma.     

Potential energy curves and spectroscopic properties of X2∑ and A2П states of 13C14N

The potential energy curves(PECs) of X2+Σand A2Π states of the CN molecule have been calculated with the multireference configuration interaction method and the aug-cc-pwCV5Z basis set. Based on the PECs, all of the vibrational and rotational levels of the13C14N molecule are obtained by solving the Schro¨dinger equation of the molecular nuclear motion.The spectroscopic parameters are determined by fitting the Dunham coefficients with the levels. Both the levels and the spectroscopic parameters are in good qualitative agreement with the experimental data available. The analytical potential energy functions are also deduced from the calculated PECs. The present results can provide a helpful reference for future spectroscopy experiments or dynamical calculations of the molecule.     

Mass Spectra of Heavy and Light Mesons Using Asymptotic Iteration Method

The non-relativistic radial Schr¨odinger equation is analytically solved using asymptotic iteration method within the framework of a general interaction potential whose special cases are the Cornell and Cornell plus harmonic potentials. The energy eigenvalues expression is derived in three dimensional space, which is further used to calculate the mass spectra of ˉcc,ˉbb,ˉbc, cˉs, bˉs and b ˉq mesons. The obtained results of this work are in good agreement with experimental and other relativistic results and also improved in comparison with other non-relativistic recent studies.     

Corrections to atomic ground state energy due to interaction between atomic electric quadrupole and optical field

We study the ground state energy of an atom interacting with an oscillating optical field with electric dipole and quadrupole coupling.Under the rotating wave approximation,we derive the effective atomic Hamiltonians of the dipole/quadrupole coupling term within the perturbation theory up to the second order.Based on the effective Hamiltonians,we analyze the atomic ground-state energy corrections of these two processes in detail.As an application,we find that for alkali-like atoms,the energy correction from the quadrupole coupling is negligible small in comparison with that from the dipole coupling,which justifies the so-called dipole approximation used in literatures.Some special cases where the quadrupole interaction may have considerable energy corrections are also discussed.Our results would be beneficial for the study of atom–light interaction beyond dipole approximation.     

Energy level analyses of even-parity J = 1 and 2 Rydberg states of Sn I by multichannel quantum defect theory

This paper analyzes the energy levels along the even-parity J=1 and 2 Rydberg series of Sn I by multichannel quantum defect theory. A good agreement between theoretical and experimental energy levels was achieved. Below 59198 cm-1, a total of 85 and 23 new energy levels, respectively, in the J=1 and J=2 series, which cannot be measured previously by experiments, are predicted in this work. Based on the calculated admixture coefficients of each channel, interchannel interactions were discussed in detail. The results are helpful to understand the characteristics of configuration interaction among even-parity levels in Sn I.     

Spectra and electromagnetic transitions of ~(72-84)Kr in the interacting boson model-1

Within the framework of the interacting boson model-1, the energy levels and electromagnetic transitions in ~(72-84)Kr isotopes are calculated. The structures of the eigenstate and Hamiltonian matrix for some low-lying states are also calculated. The calculated results are compared with available experimental data, and the results are generally in good agreement. The present study shows that the ~(72,74,76,80,82,84)Kr isotopes are in the transition from U(5)→ S U(3), and ~(78)Kr is in the transition from U(5)→O(6).