Theoretical Investigation of Femtosecond-Resolved Photoelectron Spectrum of NaI Molecules

The time-resolved photoelectron spectra （TRPES） of NaI molecules are calculated by using the time-dependent wave packet method. Two different potential energy curves （adiabatic and diabatic） are adopted in the simulation. The third peak of the photoelectron spectra presented in the adiabatic calculation is induced by the reflection of the wave packet. The oscillating of the wave packet onto the diabatic energy curve is a decreasing process. The comparison of the photoelectron spectra between the two different calculations （adiabatic and diabatic） is presented.     

Theoretical Investigation of Femtosecond-Resolved Photoelectron Spectra of the Li2 Molecule

The time-dependent quantum wave packet method is used to investigate the dynamics for the Li2 molecule, and the time-resolved photoelectron spectra （TRPES） of the Li2 molecule are calculated. At the short delay time, the particular phenomenon of TRPES with four peaks is qualitatively interpreted in a dressed state picture by analyzing wave packet motion on light-induced potential （LIP）. The significant difference in the electronic structure of E1∑g^＋ between the inner and outer turning points has an impact on the TRPES. The control for the first excited state A1∑u^＋ of the initial wave packet is discussed.     

Photoionization of NaK molecule with a double-well potential in femtosecond pump--probe pulse laser fields

The method of time-dependent quantum wave packet dynamics is used to calculate the femtosecond pump--probe photoelectron spectra and study the wave packet dynamic processes of the double-minimum potential state 6¹∑⁺ of NaK in intense laser fields. The evolutions of the wave packet and the photoelectron energy spectra with time and internuclear distance are described in detail. The wave packet dynamic information of the 6¹∑⁺ state can be extracted from the photoelectron energy spectra.     

Controlling optical responses through local dielectric resonance in nanometre metallic clusters

Optical responses in dilute composites are controlled through the local dielectric resonance of metallic clusters. We consider two located metallic clusters close to each other with admittances \varepsilon₁ and \varepsilon₂. Through varying the difference admittance ratio \eta [ = (\varepsilon₂- \varepsilon ₀) / (\varepsilon₁- \varepsilon₀)], we find that their optical responses are determined by the local resonance. There is a blueshift of absorption peaks with the increase of \eta. Simultaneously, it is known that the absorption peaks will be redshifted by enlarging the cluster size. By adjusting the nano-metallic cluster geometry, size and admittances, we can control the positions and intensities of absorption peaks effectively. We have also deduced the effective linear optical responses of three-component composites \varepsilon_e= \varepsilon₀ \bigl(1 + \sum_n=1^{n_s} [(\gamma_n2+ \eta \gamma_n2)/({\varepsilon₀(s - s_n))]} \bigr), and the sum rule of cross sections: \sum_n=1^{n_s} {(\gamma_n2+ \eta \gamma_n2 ) = N_h1+ N_h2, where N_h1and N_h2 are the numbers of \varepsilon₁ and \varepsilon₂ bonds along the electric field, respectively. These results may be beneficial to the study of surface plasmon resonances on a nanometre scale.     

Valence orbital method of calculating harmonic emission from diatomic molecule

We present a valence orbital method of calculating high-order harmonic generation from a diatomic molecule with arbitrary orientation by using a space rotation operator. We evaluate the effects of each valence orbital on harmonic emissions from N₂ and O₂ molecules in detail separately. The calculation results confirm the different properties of harmonic yields from N₂ and O₂ molecules which are well consistent with available experimental data. We observe that due to the orientation dependence of \sigma and \pi orbitals, the bonding orbital (\sigma _{2pz} )^2 of N₂ determines the maximum of harmonic emission when the molecular axis of N₂ is aligned parallel to the laser vector, and the magnitude of the high harmonic signal gradually weakens with the orientation angle of molecular axis increasing. But for O₂ molecule the antibonding orbitals (\pi _{2py}^\ast )^1 and (\pi _{2pz}^\ast )^1 contribute to the maximum of harmonic yield when O₂ is aligned at 45^{\circ} and bonding orbitals (\pi _{2py} )^2 and (\pi _{2pz} )^2 slightly influence the orientation angle of maximum of harmonic radiation not exactly at 45^{\circ}.     

Magnetoelastic instability in the XXZ rings with next-nearest neighbour coupling

This paper numerically investigates the magnetoelastic instability in the S = 1/2 {XXZ} rings containing finite spins N with antiferromagnetic nearest-neighbour ({NN}) and next-nearest neighbour ({NNN}) coupling. It finds that, as the {NN} anisotropy Δ₁ equals the {NNN} anisotropy \varDelta₂, there exists a critical {NNN} coupling strength J₂^c(≈0.5), at which the systems always locate in dimerized phase for arbitrary large spring constant. As Δ₁ \ne Δ₂, the values of J₂^{\rm c} are dependent on N and the difference of (Δ₁-\varDelta₂).     

Theoretical study of the influence of intense femtosecond laser field on the evolution of the wave packet and the population of NaRb molecule

Employing the two-state model and the time-dependent wave packet method, we have investigated the influences of the parameters of the intense femtosecond laser field on the evolution of the wave packet, as well as the population of ground and double-minimum electronic states of the NaRb molecule. For the different laser wavelengths, the evolution of the wave packet of 6{ }^1\Sigma ^ + state with time and internuclear distance is different, and the different laser intensity brings different influences on the population of the electronic states of the NaRb molecule. One can control the evolutions of wave packet and the population in each state by varying the laser parameters appropriately, which will be a benefit for the light manipulation of atomic and molecular processes.     

Autler-Townes splitting in photoelectron spectra of K2 molecule

We investigate Autler-Townes splitting in the photoelectron spectra of K₂ molecule driven by pump-probe pulses via employing the time-dependent wave packet approach.It is found that the magnitude of Aulter-Townes splitting varies with the wavelength of the intense laser pulse.In particular,the phenomenon of Aulter-Townes splitting vanishes for the far-off resonance of the pump pulse.Also,the split peaks of Autler-Townes in the case of resonant pump pulse give us an approach to directly obtaining the transition dipole moment of a molecule.     

Effect of Pulse Temporal Profile on Autler-Townes Splitting in Photoelectron Spectrum

The effect of pulse temporal profiles on the Autler-Townes （AT） splitting in photoelectron spectra is theoretically studied by employing the time-dependent wave packet method for a rotational Na2 molecule. The AT splitting which results from the sufficient Rabi oscillations is affected by the pulse profile and molecular alignment. The AT splitting may be observed only by utilizing proper pulse profiles with a certain intensity.     

Two types of loop algebras and their expanding Lax integrable models

Though various integrable hierarchies of evolution equations were obtained by choosing proper U in zero-curvature equation U_t-V_x+[U,V]=0, but in this paper, a new integrable hierarchy possessing bi-Hamiltonian structure is worked out by selecting V with spectral potentials. Then its expanding Lax integrable model of the hierarchy possessing a simple Hamiltonian operator \widetilde{J} is presented by constructing a subalgebra \widetilde{G } of the loop algebra \widetilde A₂. As linear expansions of the above-mentioned integrable hierarchy and its expanding Lax integrable model with respect to their dimensional numbers, their (2+1)-dimensional forms are derived from a (2+1)-dimensional zero-curvature equation.     

Description of nucleus ^44Ti in new symmetry limit in IBM-3

Analysis of the spectra and E2 transition rates shows that the empirical scheme of {}^{44}Ti is in good agreement with the predictions of the [U_d (5) \otimes U_{T_d} (3)]⊕U_{T_s} (3) symmetry limit.     

Laser-Induced Continuum Structure of NO Molecules in Two-Colour Femtosecond Pulsed Laser Fields

The method of quantum wave packet dynamics is used to study the multiphoton ionization of NO molecules via a two-photon Raman coupling and a laser-induced continuum structure （LICS） state in two-colour strong femtosecond pulsed laser fields. Time-and energy-resolved photoelectron energy spectra are calculated for describing three photoionization channels. The population transfers through the LICS and the Raman coupling passages are discussed.     

Delay time dependence of wave packet motion and population transfer of four-level K_2 molecule in pump–pump–probe pulses

The effect of delay time on photoelectron spectra and state populations of a four-level ladder K_2 molecule is investigated by a pump1–pump2–probe pulse via the time-dependent wave packet approach. The periodical motion of the wave packet leads to the periodical change of the photoelectron spectra. The Autler–Townes triple splitting appears at zero delay time, double splitting appears at nonzero delay time between pump1 and pump2 pulses, and no splitting appears at nonzero delay time between pump2 and probe pulses. The periodical change of the state populations with the delay time may be due to the coupling effect between the two pulses. It is found that the selectivity of the state populations may be attained by regulating the delay time. The results can provide an important basis for realizing the optical control of molecules experimentally.     

Probing the launching position of the electron wave packet in molecule strong-field tunneling ionization

Strong-field tunneling ionization is the first step for a broad class of phenomena in intense laser-atom/molecule interactions. Accurate information about the electron wave packet from strong-field tunneling ionization of atoms and molecules is of essential importance for understanding various tunneling ionization triggered processes. Here, we survey the property of the electron wave packet in tunneling ionization of molecules with a method based on strong-field photoelectron holography. By solving the time-dependent Schr ¨odinger equation, it is shown that the holographic interference in the photoelectron momentum distribution exhibits the asymmetric behavior with respect to the laser polarization direction, when the molecule is aligned with a nonzero angle to the linearly polarized laser field. We demonstrate that this asymmetry is due to the nonzero initial transverse displacement of the electron wave packet at tunneling. By analyzing the holographic interference, this transverse displacement for the launching of electron wave packet tunneling from the molecules is accurately retrieved. This displacement is directly related to the electron density distribution in molecules, and thus our work developed a novel concept for probing electronic structure in molecules.     

Study on spectroscopic parameters and molecular constants of HCl(X~1Σ~+) molecule by using multireference configuration interaction approach

Equilibrium internuclear separations, harmonic frequencies and potential energy curves (PECs) of HCl($X^{1}\Sigma ^{ + })$ molecule are investigated by using the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach in combination with a series of correlation-consistent basis sets in the valence range. The PECs are all fitted to the Murrell--Sorbie function, and they are used to accurately derive the spectroscopic parameters ($D_{\rm e}$, $D_{0}$, $\omega_{\rm e}\chi_{\rm e}$, $\alpha_{\rm e}$ and $B_{\rm e})$. Compared with the available measurements, the PEC obtained at the basis set, aug-cc-pV5Z, is selected to investigate the vibrational manifolds. The constants $D_{0}$, $D_{\rm e}$, $R_{\rm e}$, $\omega_{\rm e}$, $\omega_{\rm e}\chi_{\rm e}$, $\alpha_{\rm e}$ and $B_{\rm e}$ at this basis set are 4.4006~eV, 4.5845~eV, 0.12757~nm, 2993.33~cm$^{ - 1}$, 52.6273~cm$^{ - 1}$, 0.2981~cm$^{ - 1}$ and 10.5841~cm$^{ - 1}$, respectively, which almost perfectly conform to the available experimental results. With the potential determined at the MRCI/aug-cc-pV5Z level of theory, by numerically solving the radial Schr\"{o}dinger equation of nuclear motion in the adiabatic approximation, a total of 21 vibrational levels are predicted. Complete vibrational levels, classical turning points, inertial rotation and centrifugal distortion constants are reproduced, which are in excellent agreement with the available Rydberg--Klein--Rees data. Most of these theoretical vibrational manifolds are reported for the first time to the best of our knowledge.     

Identification of Above-Threshold Ionization by Imaging Photoelectrons from Ammonia Molecules in an Intense Femtosecond Laser Field

The above-threshold ionization process of ammonia molecules induced by a femtosecond laser field at 800 nm is studied in the intensity range from 1.6 × 10¹³ to 5.7 × 10¹³ W/cm². Channel switching under different laser intensities is observed and identified in the photoelectron kinetic energy spectra of ammonia. Based on the photoelectron kinetic energy distributions and the photoelectron angular distributions, the characteristic peaks observed are exclusively ass...     

Isolated attosecond electron wave packet diffraction

Wave-particle duality is one of the most fundamental and mysterious natures of matters.Here,we present an interesting scheme of isolated electron wave packet diffraction with a few-cycle laser pulse and an extreme ultraviolet (XUV) pulse.The diffraction fringes are clearly present in the laser dressed XUV photoelectron spectra,strongly resembling the Airy diffraction pattern of optical waves.This phenomenon suggests a great potential of attosecond diffractometry.According to this scheme we also propose a simple method to determine the XUV pulse duration from the photoelectron spectra with a rather high resolution.     

PM567-Doped solid dye lasers based on PMMA

Polymers are a kind of attractive hosts for laser dyes due to their high transparency in both pumping and lasing ranges and superior optical homogeneity. In this paper solid dye samples based on polymethyl methacrylate (PMMA) doped with different concentrations of 1, 3, 5, 7, 8 -pentamethyl-2, 6-diethylpyrromethene-BF$_{2 }$ (PM567) are prepared. The absorption, fluorescence and lasing spectra of the samples are obtained. Wide absorption and fluorescence bands are obtained and a red shift of the maxima of the lasing emission spectra is observed. With the second-harmonic generation of Q-switched Nd:YAG laser (532\,nm, $\sim $20\,ns) pumping the samples longitudinally, the slope efficiencies of the samples are obtained. There is an optimal dye concentration for the highest slope efficiency when the pumping energy is lower than some typical value ($\sim $250\,mJ), and the highest slope efficiency 35.6{\%} is obtained in the sample with a dye concentration of $2\times10^{ - 4}$\,mol/L. Pumping the samples at a rate of 10Hz with a pulse energy as high as 200\,mJ (the fluence is 0.2\,J/cm$^{2})$, the output energy drops to one-half of its initial value after approximate 15500 pulses and the normalized photostability is 5.17\,GJ/mol. A kind of solid dye laser which could have some applications is built.     

Study of second-order nonlinear hyperpolarisability of all-trans-β-carotene in solutions by linear spectroscopic technique

This paper demonstrates the second-order nonlinear hyperpolarisability \gamma of all-trans-β-carotene in different solvents by linear spectroscopic technique that is based on resonance Raman scattering and UV--VIS (Ultraviolet-visible) absorption spectroscopy. Owing to the two-level model well describing the link that exists between the resonance Raman scattering and stimulated Raman scattering, the stimulated Raman polarisability α_{\rm R} can be calculated through the two-photon resonance system. The value of \gamma of all-trans-β-carotene in carbon bisulfide solution is 6.435\times 10^{-33} esu (1~esu of resistance =8.98755\times10^{11}~\Omega) that is close to the true value, because the solution of all-trans-β-carotene in carbon bisulfide satisfies the rigid resonance Raman scattering condition. This method is expected to be worthy of applications to measure the second-order nonlinear hyperpolarisability of a conjugate organic molecule.     

Investigation of fabrication and hetero-epitaxy relationship of CoCrPt thin films grown on CrW underlayer

This paper reports that longitudinally oriented CoCrPt thin films with Cr₈₅W₁₅ underlayer and CoCr intermediate layer for use of giant magnetoresistance heads were fabricated by magnetron sputtering. Without CoCr intermediate layer, CoCrPt layer deposited directly on Cr₈₅W₁₅ underlayer which has a dominant (200) texture exhibits unexpected (10\bar {1}1) texture. After introducing CoCr intermediate layer, the CoCrPt layer shifts into (11\bar {2}0) texture. This article studies the crystallographic hetero-epitaxy relationship between magnetic layer and underlayer in order to understand the appearance of CoCrPt (10\bar {1}1) texture on (200) textured Cr underlayer and the influence of CoCr intermediate layer on the inducement of CoCrPt (11\bar {2}0) texture. The CoCr intermediate layer plays a crucial role in controlling the microstructure and consequently the magnetic properties of the overlying magnetic layer.