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.

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.

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.

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.

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.

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

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.

Relativistic Reduction of the Electron-Nucleus Force in Bohr’s Hydrogen Atom and the Time of Electron Transition between the Neighbouring Quantum Energy Levels

The aim of the paper is to get an insight into the time interval of electron emission done between two neighbouring energy levels of the hydrogen atom. To this purpose, in the first step, the formulae of the special relativity are applied to demonstrate the conditions which can annihilate the electrostatic force acting between the nucleus and electron in the atom. This result is obtained when a suitable electron speed entering the Lorentz transformation is combined with the strength of the magnetic field acting normally to the electron orbit in the atom. In the next step, the Maxwell equation characterizing the electromotive force is applied to calculate the time interval connected with the change of the magnetic field necessary to produce the force. It is shown that the time interval obtained from the Maxwell equation, multiplied by the energy change of two neighbouring energy levels considered in the atom, does satisfy the Joule-Lenz formula associated with the quantum electron energy emission rate between the levels.

The Effect of Energy Levels of the Electron Acceptor Materials on Organic Photovoltaic Cells

Organic photovoltaic cells have been fabricated using copper phthalocyanine CuPc as electron donor and C60 or PCBM as electron acceptor. We have investigated the I-V measurements of two different structures: ITO/PEDOT: PSS/(CuPc:C60 or CuPc:PCBM)/BCP/Al. We have observed that the substitution of PCBM by C60 scales up the photocurrent and the efficiency of the devices. As for the open-circuit voltage and the fill factor, we have seen that Voc and FF depend on the energy difference between the highest occupied molecular orbital (HOMO) of CuPc and the lowest unoccupied molecular orbital (LUMO)of C60 or PCBM.

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.

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.

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.

8.30%Efficiency P3HT-based all-polymer solar cells enabled by a miscible polymer acceptor with high energy levels and efficient electron transport

P3HT stands out from numerous polymer donors owing to the merits of low cost and high scalability of synthesis.However,the photovoltaic performance of P3HT-based blends lags significantly behind the state-of-the-art systems,especially for all-polymer solar cells(APSCs) that generally show efficiency of around 3%–4% due to the lack of matched polymer acceptors.Herein,a polymer acceptor,named IDTBTC8-CN,was designed and synthesized with indacenodithiophene(IDT) and mono-cyano(CN)-substituted benzothiadiazole(BT-CN) as building blocks.Introducing a CN group endowed the polymer with decreased bandgap,and apparent n-type charge transport character despite the relatively high energy levels.Additionally,IDTBTC8-CN showed largely improved miscibility with P3HT,compared with that of BT-based control polymer IDTBTC8.The high miscibility between P3HT and IDTBTC8-CN as well as the amorphous aggregation behavior of IDTBTC8-CN enabled a broad manipulation room for the blend film to acquire favorable morphology.Eventually,a champion efficiency of 8.30% was achieved,in sharp contrast to that of the IDTBTC8-based system(1.21%).Such efficiency is a new record for P3HT-based APSCs reported so far.Moreover,P3HT:IDTBTC8-CN blend film also exhibited excellent mechanical robustness.This study implies the guidance of molecular design of the polymer acceptors and morphology control for P3HT-based APSCs.

Energy levels and radiative lifetimes of 3pns ~3p_0 and 3pnd ~3P_0 series of SiⅠ

The energy levels and lifetimes of 3pns ^3po （n = 7 - 35） and 3pnd ^3p0 （n = 6 - 17） series of neutral silicon are calculated and predicted by means of multichannel quantum defect theory （MQDT）. In addition, the perturbation caused by core-excited state 3s3p^3 is discussed. The 3pnd ^3p0 series, especially 3p4d ^3p0, 3p5d ^3P0, and 3p6d ^3P0 are perturbed strongly by the core-excited state 3s3p3 ^3P0. These cause the lifetime of 3pnd ^3P0 （n = 5 - 7） to be less than that of 3p4d 3Po. The lifetimes of 3p14d ^3P0 （65479.14 cm^-1） and 3p16d ^3p0 （65608.77 cm^-1） are less than that of their frontal states respectively, because these states are perturbed by 3p22s ^3p0 （65476.48 cm-1） and 3p30s ^3p0 （65608.99 cm^-1） respectively.

Fine-tuning HOMO energy levels between PM6 and PBDB-T polymer donors via ternary copolymerization

To achieve high-efficiency polymer solar cells(PSCs),it is not only important to develop high-performance small molecule acceptors(SMAs)but also to find a matching polymer donor to achieve optimal morphology and matching electronic properties.Currently,state-of-the-art SMAs mostly rely on a donor polymer named PM6.However,as the family of SMAs continues to expend,PM6 may not be the perfect polymer donor due to the requirement of energy level matching.In this work,we tune the energy level of PM6 via the strategy of ternary copolymerization.We achieve two donor polymers(named PL-1 and PL-2)with upshifted HOMO(the highest occupied molecular orbital)energy level(compared with PM6),and can thus match with the SMAs with upshifted HOMO energy levels compared with Y6.These two copolymers exhibit slightly higher order of molecular packing and similar charge transport properties,which demonstrate that the method of ternary copolymerization can fine tune the HOMO level of donor polymers,while the morphology and mobility of the blend film remain mostly unaffected.Among them,the best device based on PL-1:Y6 exhibits power conversion efficiencies(PCEs)of 16.37%with lower open circuit voltage(Voc)but higher short circuit current voltage(Jsc)and fill factor(FF)than that of the device based on PM6:Y6.This work provides an effective approach to find polymer matches for the SMAs with upshifted HOMO levels.

Dietary energy sources and levels shift the multi-kingdom microbiota and functions in the rumen of lactating dairy cows

Background: Dietary energy source and level in lactation diets can profoundly affect milk yield and composition.Such dietary effects on lactation performance are underpinned by alteration of the rumen microbiota, of which bacteria, archaea, fungi, and protozoa may vary differently. However, few studies have examined all the four groups of rumen microbes. This study investigated the effect of both the level and source of dietary energy on rumen bacteria, archaea, fungi, and protozoa in the rumen of lactating dairy cows. A 2 × 2 factorial design resulted in four dietary treatments: low and high dietary energy levels(LE: 1.52–1.53;and HE: 1.71–1.72 Mcal/kg dry matter) and two dietary energy sources(GC: finely ground corn;and SFC: steam-flaked corn). We used a replicated 4 × 4 Latin square design using eight primiparous Chinese Holstein cows with each period lasting for 21 d. The rumen microbiota was analyzed using metataxonomics based on kingdom-specific phylogenetic markers [16 S r RNA gene for bacteria and archaea, 18 S r RNA gene for protozoa, and internally transcribed spacer 1(ITS1) for fungi] followed with subsequent functional prediction using PICRUSt2.Results: The GC resulted in a higher prokaryotic(bacterial and archaeal) species richness and Faith's phylogenetic diversity than SFC. For the eukaryotic(fungi and protozoa) microbiota, the LE diets led to significantly higher values of the above measurements than the HE diets. Among the major classified taxa, 23 genera across all the kingdoms differed in relative abundance between the two dietary energy levels, while only six genera(none being protozoal)were differentially abundant between the two energy sources. Based on prokaryotic amplicon sequence variants(ASVs) from all the samples, overall functional profiles predicted using PICRUSt2 differed significantly between LE and HE but not between the two energy sources. Fish Taco analysis identified Ruminococcus and Coprococcus as the taxa potentially contributing to the enriched KEGG pathways for biosynthesis of amino acids and to the metabolisms of pyruvate, glycerophospholipid, and nicotinate and nicotinamide in the rumen of HE-fed cows. The co-occurrence networks were also affected by the dietary treatments, especially the LE and GC diets, resulting in distinct co-occurrence networks. Several microbial genera appeared to be strongly correlated with one or more lactation traits.Conclusions: Dietary energy level affected the overall rumen multi-kingdom microbiota while little difference was noted between ground corn and steam-flaked corn. Some genera were also affected differently by the four dietary treatments, including genera that had been shown to be correlated with lactation performance or feed efficiency.The co-occurrence patterns among the genera exclusively found for each dietary treatment may suggest possible metabolic interactions specifically affected by the dietary treatment. Some of the major taxa were positively correlated to milk properties and may potentially serve as biomarkers of one or more lactation traits.

Reducing energy loss via tuning energy levels of polymer acceptors for efficient all-polymer solar cells

The open-circuit voltage(Voc) of all-polymer solar cells(all-PSCs) is typically lower than 0.9 V even for the most efficient ones.Large energy loss is the main reason for limiting Voc and efficiency of all-PSCs. Herein, through materials design using electron deficient building blocks based on bithiophene imides, the lowest unoccupied molecular orbital(LUMO) energy levels of polymer acceptors can be effectively tuned, which resulted in a reduced energy loss induced by charge generation and recombination loss due to the suppressed charge-transfer(CT) state absorption. Despite a negligible driving force, all-PSC based on the polymer donor and acceptor combination with well-aligned energy levels exhibited efficient charge transfer and achieved an external quantum efficiency over 70% while maintaining a large Voc of 1.02 V, leading to a 9.21% efficiency. Through various spectroscopy approaches, this work sheds light on the mechanism of energy loss in all-PSCs, which paves an avenue to achieving efficient all-PSCs with large Voc and drives the further development of all-PSCs.

Effects of Different Dietary Energy and Protein Levels on Meat Performance and Meat Quality of Jinghai Yellow Chickens

To investigate the effect of different dietary energy and protein levels on meat performance and meat quality of Jinghai yellow chickens, 480 43-day old Jinghai yellow chickens with similar weight were randomly divided into four experimental groups： experimental group 1 （protein 15%, metabolic energy 9.95 MJ/kg）, experimental group 2 （protein 16%, metabolic energy 10.95 MJ/kg）, experimental group 3 （protein 17%, metabolic energy 12.65 MJ/kg） and experimental group 4 （ protein 18%, metabolic energy 13.95 MJ/kg）, respectively. All chickens were slaughtered at 112-day old. The breast and leg muscles of Jinghai yellow chickens were collected, to determine the slaughter performance, conventional meat quality and muscle chemical indicators. The results indicated that dressing-out percentage and eviscerated yield percentage in four experimental groups were above 87.27% and 67.00%, respectively; other slaughter performance indicators exhibited no significant differences among various groups （P 〉 0.05 ） ; breast muscle color of hens in experimental group 4 varied significantly from that in other three groups （ P 〈 0.05 ） ; leg muscle color of hens in experimental group 2 varied extremely significantly from that in other three groups （ P 〈 0.01 ） ; water-holding capacity of breast muscles of hens in experimental group 3 was significantly higher than that in experimental group 4 （P 〈 0.05 ） ; thiamine content of breast muscles of cocks in experimental group 3 was significandy higher than that in experimental group 2 （ P 〈 0.05 ） ; however, other properties exhibited no significant differenees among various groups （P 〉 0.05 ）.