Ridge regression energy levels calculation of neutral ytterbium(Z=70)

In view of the difficulty in calculating the atomic structure parameters of high-Z elements,the Hartree–Fock with relativistic corrections(HFR)theory in combination with the ridge regression(RR)algorithm rather than the Cowan code’s least squares fitting(LSF)method is proposed and applied.By analyzing the energy level structure parameters of the HFR theory and using the fitting experimental energy level extrapolation method,some excited state energy levels of the Yb I(Z=70)atom including the 4f open shell are calculated.The advantages of the ridge regression algorithm are demonstrated by comparing it with Cowan code’s LSF results.In addition,the results obtained by the new method are compared with the experimental results and other theoretical results to demonstrate the reliability and accuracy of our approach.

Effects of Dietary Energy Level on the Expression of the HSL Gene in DifferentTissues of Sheep

A total of 36 four-mon-old hybrid lambs （Dorset×Thin-tailed Han sheep） with similar body weight （BW） were randomly allocated to three dietary treatments with different energy （7.21, 10.33 and 13.49 MJ d-1 ME） but similar protein levels. The animals were slaughtered and subcutaneous fat, longissimus dorsi muscle, femoral biceps muscle and cardiac muscle tissue samples were taken after being treated for 40 d. The samples were then subjected to quantitative PCR to determine mRNA expression of hormone-sensitive lipase （HSL） in different tissues in the laboratory. The findings showed that the abundance of HSL mRNA decreased with the elevation of dietary energy. In the subcutaneous fatty tissue, the HSL mRNA levels showed significant differences among the three groups （P〈0.01）; in the longissimus dorsi and femoral biceps muscles, the HSL mRNA level in the low energy group was significantly higher than that in the moderate and high energy groups （P〈0.01）. In the cardiac muscle, the HSL mRNA level in the moderate energy group was significantly different from the low and high energy groups （P〈0.05）. The number of HSL copies （Qty） in different tissues of sheep was different, it was greater in the subcutaneous fat than in longissimus dorsi muscle, femoral biceps muscle and heart.

Is HOMO Energy Level a Good Parameter to Characterize Antioxidant Activity

Semiempirical quantum chemical method AM1 was employed to calculate the highest occupied molecular orbital (HOMO) energy levels (E-HOMO) for various types of antioxidants. It was verified that the correlation between logarithm of free radical scavenging rate constants (1gks) and E-HOMO substantially arises from the correlation between E-HOMO and O-H bond dissociation energies (BDE) of antioxidants. Furthermore, E-HOMO were poorly correlated with the logarithm of relative free radical scavenging rate constants (1gk(3)/k(1)) for various types of antioxidants that possess complex structures (r = 0.5602). So in a broad sense, E-HOMO was not an appropriate parameter to characterize the free radical scavenging activity of antioxidants.

Energy levels and states of parabolic cylindrical lens shaped quantum dots

The parabolic cylindrical lens shaped quantum dot is investigated theoretically. The Schrǒdinger equation for an electron confined in this structure is solved in the parabolic cylindrical coordinate system. The wavefunctions for the electron are presented in terms of confluent hypergeometric functions, and the electron energy spectra are also obtained.

Calculation of Rydberg energy levels for the francium atom

Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of the nP^2P^o1/2 （n=7-50） and np^2P^o3/2 （n=7-50） spectrum series for the francium atom are calculated. The calculated results are in excellent agreement with the 48 measured levels, and 40 energy levels for highly excited states are predicted.

Variation of the Observed Widths of La I Lines with the Energy of the Upper Excited Levels, Demonstrated on Previously Unknown Energy Levels

We performed systematic laser spectroscopic investigations of La I spectral lines, using optogalvanic detection. Sixteen previously unknown even parity levels, having energies between 40,300 and 44,300 cm-1, are reported. These levels classify altogether 67 lines, not listed in spectral tables. The new levels were found due to the observation of the depopulation of the lower levels of the excited transitions. We found a remarkable variation of the observed widths of single hyperfine structure components dependent on the energy of the upper excited levels. Some levels having energies higher than 43,000 cm-1 appear to have a very high ionization probability.

Energy Levels of Coupled Plasmonic Cavities

We demonstrate the hybridization of the plasmonic modes in directly coupled whispering gallery cavities fabricated on silver films and present the mode patterns and energy levels using cathodoluminescence spectroscopy. Although the energy of the most antisymmetrically coupled modes is higher than that of the corresponding symmetrically coupled ones, the contrary cases happen for small quantum number modes. We attribute the phenomenon to the different surface plasmon polariton paths between the symmetrically and antisymmetrically coupled modes; These results provide an understanding of the resonant properties in coupled plasmonic cavities, which have potential applications in nanophotonic devices.

Effects of Dietary Energy Level and Source on Blood Metabolites,Hormone Secretion and Follicular Fluid Composition in Gilts

The objective of the study was to investigate the effects of dietary energy levels and sources on the blood metabolites,hormone secretion and the composition of follicular fluid in gilts.Fifty-four gilts with initial body weight of(59±4.2) kg were randomly allotted to six treatments.Treatments were low, normal,and high energy feeding levels,which were 87.5%,100%and 112.5%of recommendatory energy requirements by NRC(1998),respectively,and dietary energy sources(starch or fat).Blood samples and follicular fluids were collected on D18 and D19 of the second estrous cycle.The results showed that plasma concentrations of triglycerides and total cholesterol were higher in the fat group than that in the starch group(P【0.05),but those of glucose were similar between the two energy sources(P】0.05);dietary energy level exerted no effect on blood metabolites concentration(P】0.05).Gilts fed the high energy diet had a higher area under curve of plasma insulin(Insulin AUC),insulin-like growth factor-Ⅰ(IGF-Ⅰ) and leptin than did gilts fed the lower energy diet(P【0.05),but there was no significant difference between fat versus starch(P】0.05).Luteinizing hormone(LH) pulses were higher in gilts fed high energy rather than that in low energy diets(P】0.05),plasma concentration of estradiol(E2) was higher in the fat group than that in the starch group(P【0.05).The number of large follicles(diameter≥4 mm) and concentrations of IGF-Ⅰand E2 in follicular fluid were increasing significant as the level of energy increased(P【0.05),but the numbers of large follicles and follicular fluid composition were not affected by the source of dietary energy(P】0.05).The results indicate that gilts fed high energy diets had elevated plasma concentrations of metabolic hormones,IGF-Ⅰand LH secretion,and increased follicular fluid concentrations of IGF-Ⅰ,E2 and numbers of large follicles;gilts fed the dietary fat had a higher plasma concentration of cholesterol and E2.

Superior surface electron energy level endows WP_(2) nanowire arrays with N_(2) fixation functions

Nitrogen reduction reaction(NRR)under ambient conditions is always a long-standing challenge in science,due to the extreme difficulty in breaking the strong N≡N triple bond.The key to resolving this issue undoubtedly lies in searching superior catalysts to efficiently activate and hydrogenate the stable nitrogen molecules.We herein evaluate the feasibility of WP_(2) for N2 activation and reduction,and first demonstrate WP_(2) with an impressive ammonia yield rate of 7.13 lg h^(-1)cm^(-2),representing a promising W-based catalyst for NRR.DFT analysis further reveals that the NRR catalysis on WP_(2) proceeds in a distal reaction pathway,and the exceptional NRR activity is originated from superior surface electron energy level matching between WP_(2) and NRR potential which facilitates the interfacial proton-coupled electron transfer dynamics.The successfully unraveling the intrinsic catalytic mechanism of WP_(2) for NRR could offer a powerful platform to manipulate the NRR activity by tuning the electron energy levels.

Defect suppression and energy level alignment in formamidinium-based perovskite solar cells

The vast majority of high-performance perovskite solar cells(PSCs) are based on a formamidinium lead iodide(FAPbI_(3))-dominant composition. Nevertheless, the FA-based perovskite films suffer from undesirable phase transition and defects-induced non-ideal interfacial recombination, which significantly induces energy loss and hinders the improvement of device performance. Herein, we employed 4-fluorophenylmethylammonium iodide(F-PMAI) to modulate surface structure and energy level alignment of the FA-based perovskite films. The superior optoelectronic films were obtained with reduced trap density, pure α-phase FAPbI_(3) and favorable energy band bending. The lifetime of photogenerated charge carriers increased from 489.3 ns to 1010.6 ns, and a more “p-type” perovskite film was obtained by the post-treatment with F-PMAI. Following this strategy, we demonstrated an improved power conversion efficiency of 22.59% for the FA-based PSCs with an open-circuit voltage loss of 399 m V.

Energy levels and magnetic dipole transition parameters for the nitrogen isoelectronic sequence

Theoretical calculations of the energy levels and magnetic dipole transition parameters for the 1s^(2)2s^(2)2p^(3) and 1s^(2)2p^(5) configurations of nitrogen isoelectronic sequence with Z=21-30 are performed using multi-congfiguration Dirac-Fock(MCDF)method.Based on the relativistic computational code GRASP2k compiled within the framework of MCDF method,the electron correlations,Breit interaction and QED effects are well treated in detail.The energy levels,line strengths and transition rates of magnetic dipole transition are obtained and compared with the experimental data avail-able.For most cases,good agreements are achieved and the relative differences of them are less than 0.114%,8.43% and 9.80%,respectively.The scaling laws of the fine structure splitting and transition rate are obtained on the isoelec-tronic sequence and the corresponding physical mechanisms are discussed.The data sets for tables are openly available at https://www.doi.org/10.57760/sciencedb.j00113.00022.

Optical Properties, Electronic Energy Level Structure and Electroluminescent Characteristics of Salicylaldehyde Anil Zinc

A new electroluminescent material, salicylaldehyde anil zinc （SAZ） was synthesized, which can form high quality, thermal stability, nano-scale amorphous films by vacuum evaporation. Its structure, thermal stability were characterized by infrared （IR） spectra, differential thermal analysis-thermogravimetry （DTA-TG） analysis, respectively. The optical properties of SAZ were investigated by UV absorption spectra, Photoluminescence （PL） excitation and emission spectra. The highest occupied molecular orbits （HOMO）, lowest unoccupied molecular orbits （LUMO） and optical band gap were evaluated by cyclic voltammetry curve and optical absorption band edge. The electroluminescent devices using SAZ as the emissive layer emit green light with a peak wavelength at 509 nm and a brightness of about 3.1 cd/m^2.

Energy levels and transition data of 3p^(6)3d^(8)and 3p^(5)3d^(9)configurations in Fe-like ions(Z=57,60,62,64,65)

Atomic data of highly charged ions(HCIs)offer an attractive means for plasma diagnostic and stars identification,and the investigations on atomic data are highly desirable.Herein,based on the fully relativistic multi-configuration Dirac–Hartree–Fock(MCDHF)method,we have performed calculations of the fine-structure energy levels,wavelengths,transition rates,oscillator strengths,and line strengths for the lowest 21 states of 3p^(6)3d^(8)–3p^(5)3d^(9)electric dipole(E1)transitions configurations in Fe-like ions(Z=57,60,62,64,65).The correlation effects of valence–valence(VV)and core–valence(CV)electrons were systematically considered.In addition,we have taken into account transverse-photon(Breit)interaction and quantum electrodynamics(QED)corrections to treat accurately the atomic state wave functions in the final relativistic configuration interaction(RCI)calculations.Our calculated energy levels and transition wavelengths are in excellent agreement with the available experimental and theoretical results.Most importantly,we predicted some new transition parameters that have not yet been reported.These data would further provide critical insights into better analyzing the physical processes of various astrophysical plasmas.

Relativistic calculations of fine-structure energy levels of He-like Ar in dense plasmas

The fine-structure energy levels of 1 s2s and 1 s2p atomic states for the He-like Ar ion immersed in dense plasmas are calculated. The ion sphere model is used to describe the plasma screening effect on the tested ion. The influences of the hard sphere confinement and plasma screening on the fine-structure energy levels are investigated respectively. The calculated results show that the confined effect of the hard sphere on the fine-structure energy levels increases with decreasing hard sphere radius, and the plasma screening effect on the fine-structure energy levels increases with the increase of free electron density. In dense plasmas, the confined effect of the hard generally, compared with the contribution from free electron crossing is found among 1 s2s （1 So） and 1 s2p （3P0,1） atomic plasma diagnostics. sphere on the fine-structure energy levels can be neglected screening. An interesting phenomenon about the energy level states. The results reported at the present work are useful for

Saturable Absorption Enchantment of Au Nanorods Based on Energy Transfer between Longitudinal and Transverse Energy Levels

Four kinds of Au nanorods（NRs）with different aspect ratios are designed to adjust the relationship between resonance energy level of longitudinal（L）and transverse（T）modes.During the femto-second Z-scan experiments,huge saturable absorption phenomena are observed while the energy level T is located between one to two times of the energylevel L.This means that the energy may transfer between longitudinal and transverse energylevels in the same and/or different Au NRs.It effectively depresses the production of revised saturated absorption and increases the saturable absorption efficiency.This method is significant for the preparation of high-efficiency saturable absorption devices.

Energy level formula for two moving charged particles with Coulomb coupling derived via the entangled state representations

This paper derives energy level formula for two moving charged particles with Coulomb coupling by making full use of two mutually conjugate entangled state representations. These newly introduced entangled state representations seem to provide a direct and convenient approach for solving certain dynamical problems for two-body systems.

Energy level of an electron in a saddle-potential quantum dot under a uniform magnetic field obtained by the invariant eigenoperator method

We show that the recently proposed invariant eigenoperator method can be successfully applied to solving the energy levels of an electron in a saddle-potential quantum dot under a uniform magnetic field. The Landau diamagnetism decreases with the value wy2 - wx2 due to the existence of the saddle potential.

Theoretical Studies on the Potential Energy Surface and Vibrational Energy Levels of HXeBr

The potential energy surface for the electronic ground state of the HXeBr molecule is constructed from more than 4200 ab initio points calculated using the internally contracted multi-reference configuration interaction method with the Davidson correction （icMRCI ＋ Q）. The stabilities and dissociation barriers are identified from the potential energy surface. The three-body dissociation channel is found to be the dominant dissociation channel for HXeBr. Low-lying vibrational energy levels of HXeBr calculated using the Lanczos algorithm are found to be in good agreement with the available experimental band origins.

Red Organic Light-Emitting Diodes Based on Energy Levels Matching of Dopant with the Host Materials

By doping red dye 4 dicyanomethylene 2 ( tert butyl) 6 methyl 4H pyran(DCJTB) in the tris (8 hydroxyquinolinato) metal Mq 3(where M = Al, Ga, In) chelate complexes, a series of red dopant organic light emitting diodes with different doping concentrations have been fabricated. The electroluminescence efficiency of these red diodes with a DCJTB doped Mq 3 emitting layer is found to be decreased markedly with the increasing of doping concentration. Electroluminescence characteristics of these devices are studied in terms of energy levels matching of red dopant with the host materials and carrier transporting layers.

Coherent Features of Resonance-Mediated Two-Photon Absorption Enhancement by Varying the Energy Level Structure,Laser Spectrum Bandwidth and Central Frequency

The femtosecond pulse shaping technique has been shown to be an effective method to control the multi-photon absorption by the light–matter interaction. Previous studies mainly focused on the quantum coherent control of the multi-photon absorption by the phase, amplitude and polarization modulation, but the coherent features of the multi-photon absorption depending on the energy level structure, the laser spectrum bandwidth and laser central frequency still lack in-depth systematic research. In this work, we further explore the coherent features of the resonance-mediated two-photon absorption in a rubidium atom by varying the energy level structure, spectrum bandwidth and central frequency of the femtosecond laser field. The theoretical results show that the change of the intermediate state detuning can effectively influence the enhancement of the near-resonant part, which further affects the transform-limited （TL）-normalized final state population maximum. Moreover, as the laser spectrum bandwidth increases, the TL-normalized final state population maximum can be effectively enhanced due to the increase of the enhancement in the near-resonant part, but the TL-normalized final state population maximum is constant by varying the laser central frequency. These studies can provide a clear physical picture for understanding the coherent features of the resonance-mediated two-photon absorption, and can also provide a theoretical guidance for the future applications.