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.

Solving Energy Levels for SSH Hamiltonian Describing Peierls Phase Transition by Virtue of Invariant Eigen-operator Method

We show that the recently proposed invariant eigen-operator （IEO） method can be successfully applied to solving energy levels for SSH Hamiltonian describing Peierls phase transition. The electronic energy band of compound lattice is also studied by IEO method.

Distribution of Vibrational Energy Levels of Protein Molecular Chains

The distributions of the quantum vibrational energy levels of the protein molecular chain are found by the discretely nonlinear Schr?dinger equation appropriate to protein obtained from the Davydov theory. The results calculated by this method are basically consistent with the experimental values. Furthermore, the energy spectra at high excited states have also been obtained for the molecular chain which is helpful in researching the properties of infrared absorption and Raman scattering of the protein molecules.

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.

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.

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.

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 Level of Three-Mode Harmonic Oscillator for Coordinate Operators Satisfying Cyclic Commutative Relations Obtained by IEO Method

Eigenvalue-solution to those Hamiltonians involving non-commutative coordinates is not easily obtained. In this paper we apply the invariant eigen-operator （IEO） method to solving the energy spectrmn of the three-mode harmonic oscillator in non-commutative space with the coordinate operators satisfying cyclic commutative relations, [X1, X2] = [X2, X3]=[X3, X1] = iθ, and this method seems effective and concise.

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.

The Quantum Condition That Should Have Been Assumed by Bohr When Deriving the Energy Levels of a Hydrogen Atom

Bohr assumed a quantum condition when deriving the energy levels of a hydrogen atom. This famous quantum condition was not derived logically, but it beautifully explained the energy levels of the hydrogen atom. Therefore, Bohr’s quantum condition was accepted by physicists. However, the energy levels predicted by the eventually completed quantum mechanics do not match perfectly with the predictions of Bohr. For this reason, it cannot be said that Bohr’s quantum condition is a perfectly correct assumption. Since the mass of an electron which moves inside a hydrogen atom varies, Bohr’s quantum condition must be revised. However, the newly derived relativistic quantum condition is too complex to be assumed at the beginning. The velocity of an electron in a hydrogen atom is known as the Bohr velocity. This velocity can be derived from the formula for energy levels derived by Bohr. The velocity v of an electron including the principal quantum number n is given by αc/n. This paper elucidates the fact that this formula is built into Bohr’s quantum condition. It is also concluded in this paper that it is precisely this velocity formula that is the quantum condition that should have been assumed in the first place by Bohr. From Bohr’s quantum condition, it is impossible to derive the relativistic energy levels of a hydrogen atom, but they can be derived from the new quantum condition. This paper proposes raising the status of the previously-known Bohr velocity formula.

Influence of Energy Level Matching on Device Performances of Organic Light-emitting Diodes

Through experiments and computer simulation,the influence of the energy levels of organic materials and electrode materials in the organic light-emitting diodes (OLEDs) on the device performances is discussed.Results show that the device performances are influenced by not only the carrier injection barriers at the electrode interface but also the barriers at the organic heterojunction interface.This result is helpful to the selection of the organic materials and their arrangement in the optimal design of OLEDs.

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.

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 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.

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.

Energy Levels of Highly Ionized Ar XIV

With the Breit interaction and quantum electrodynamics corrections considered, relativistic configuration interaction calculations have been carried out in the extended optimal level scheme using multi-configuration Dirac-Fock wave functions on the 204 energy levels and electric dipole transitions of Ar XIV. The results of electric dipole transitions are in good agreement with experiments. Among the energy levels calculated, the lowest 125 levels are in good agreement with available experimental and other theoretical ones, and the other 79 levels are new ones obtained by the present work. This wide range of atomic energy levels is useful in astrophysics and plasma physics.

Energy Level Statistics of SO（5） Limit of Super-symmetry U（6/4） in Interacting Boson-Fermion Model

We study the energy level statistics of the SO(5) limit of super-symmetry U(6/4) in odd-A nucleus using the interacting boson-fermion model. The nearest neighbor spacing distribution (NSD) and the spectral rigidity (△3)are investigated, and the factors that affect the properties of level statistics are also discussed. The results show that the boson number N is a dominant factor. If N is small, both the interaction strengths of subgroups SOB(5) and SOBF(5)and the spin play important roles in the energy level statistics, however, along with the increase of N, the statistics distribution would tend to be in Poisson form.