Relativistic coupled-cluster-based linear response theory for ionization potentials of alkali-metal and alkaline-earth-metal atoms

We have developed and applied the relativistic coupled-cluster-based linear response theory (RCCLRT) for computing the principal as well as the shake-up ionization potentials (IP's) of Li, Be, Na, and Mg where the single-particle orbitals are generated by solving the relativistic Hartree-Fock-Roothaan equations using the Gaussian basis functions on a grid. The computed principal and shake-up ionization energies by the RCCLRT approach are in favorable agreement with the experimental results. Since for the (one-valence) IP problem, there is a formal equivalence between the principal IP values as obtained from the CCLRT and those obtained as eigenvalues of the multireference coupled-cluster theory, the computed quantities are fully size extensive. The approach via the RCCLRT has the additional advantage of providing the shake-up IP's as well. These are, however, not fully size extensive, but the error scales as the number of valence excitations (2h-1p), so the inextensivity error is rather small

Progress on the hybrid gun project at UCLA

UCLA/INFN-LNF/Univ. Rome has been developing the hybrid gun which has an RF gun and a short linac for velocity bunching in one structure. After the cavity was manufactured at INFN-LNF in 2012, tests of the gun was carried out at UCLA. The field in the standing wave part was 20 % smaller than the simulation but the phase advance was fine. The cavity was commissioned successfully up to 13 MW. The beam test was performed at 11.5 MW and demonstrated the bunch compression

Inelastic effects in electron transport studied with wave packet propagation

A time-dependent approach is used to explore inelastic effects during electron transport through few-level systems. We study a tight-binding chain with one and two sites connected to vibrations. This simple but transparent model gives insight about inelastic effects, their meaning and the approximations currently used to treat them. Our time-dependent approach allows us to trace back the time sequence of vibrational excitation and electronic interference, the ibrationally introduced time delay and the electronic phase shift. We explore a full range of parameters going from weak to strong electron-vibration coupling, from tunneling to contact, from one-vibration description to the need of including all vibrations for a correct description of inelastic effects in transport. We explore the validity of single-site resonant models as well as its extension to more sites via molecular orbitals and the conditions under which multi-orbital, multi-vibrational descriptions cannot be simplified. We explain the physical meaning of the spectral features in the second derivative of the electron current with respect to the bias voltage. This permits us to nuance the meaning of the energy value of dips and peaks. Finally, we show that finite-band effects lead to electron back-scattering off the molecular vibrations in the regime of high-conductance, although the drop in conductance at the vibrational threshold is rather due to the rapid variation of the vibronic density of states.Comment: 38 pages, 14 figure

Long-term impacts of integrated nutrient management with equivalent nutrient doses to mineral fertilization on soil organic carbon sequestration in a sub-tropical Alfisol of India

Limited evidence is available on carbon sequestration potential of long-term integrated nutrient management (INM) versus mineral fertilization, when equivalent amounts of nutrients were added. Hence, this study was carried out to understand the impact of 60 years of INM with adjusted nutrient doses and mineral fertilization in an Alfisol in a maize (Zea maysL.)-wheat (Triticum aestivumL.) system on soil organic carbon (SOC) sequestration in surface (0-30 cm) and deep (30-60 cm) soil layers. Conventional tillage was done twice before sowing of both maize and wheat using a spade. In farmyard manure (FYM) and lime treated plots (FYMP'K'L: plots with nitrogen (N) applied in terms of FYM; additional dose of phosphorus (P) and potassium (K) and lime) total SOC concentration was nearly 83% higher than unfertilized control plots. The FYMP'K'L plots had similar to 11% more total SOC concentration than plots treated with mineral fertilizer and lime (NPKL: recommended dose of N, P, K and lime) in the 0-30 cm soil layer. Labile C, including KMnO4-C, was more in plots with FYM than NPKL plots, whereas the recalcitrant C stock was more in NPKL than FYM treated plots. In the 0-60 cm soil layer, the labile C stock was highest in FYMP'K'L plots, but the recalcitrant C stock was highest in NPKL. Total SOC accumulation rate (over unfertilized control plots) was highest for FYMP'K'L plots (0.38 Mg ha(-1 )year(-1)) in the surface soil layer, whereas SOC sequestration rate was highest in NPKL plots (0.18 Mg ha(-1 )year(-1)) in the deep layer and in the 0-60 cm layer. Overall, although NPKL management practice had the highest C sequestration in the 0-60 cm layer, FYMP'K'L had the best CMI and labile C pools. Thus, resource poor farmers need not to use full doses of NPK and FYM for soil C management in the region

Effect of different mercerization techniques on tactile comfort of cotton fabric

The effect of different mercerization techniques on tactile comfort properties of woven cotton fabric has been studied.Desized, scoured and bleached cotton fabrics are subjected to four different mercerization treatments at two levels oftemperature (20C and 65C) under two different conditions (tension and slack). Non-mercerized fabric is served as control.Results show that mercerization treatments improve the tensile strength of cotton fabrics owing to reduced fibre crystallinityafter mercerization. Highest increase in tensile strength is observed in case of hot mercerization in slack condition. Increasein low-stress mechanical properties, such as tensile energy, bending rigidity and shear rigidity values, indicates higherstiffness/toughness of mercerized fabrics. This is further reflected in their high Koshi (stiffness/firmness), low Sofutosa(softness) and medium Fukurami (fullness) values. However, mercerization causes significant decrease in frictionalcoefficient and surface roughness, and results in improved total hand value (THV). Total hand values range from 3 to 3.61;with highest being presented by fabric mercerized under hot and slack conditions. High hand value indicates fair suitabilityof this fabric in wear comfort

Study of low energy Si5−_5^- and Cs−^- implantation induced amorphization effects in Si(100)

The damage growth and surface modifications in Si(100), induced by 25 keV Si$_5^-$ cluster ions, as a function of fluence, $\phi$, has been studied using atomic force microscopy (AFM) and channeling Rutherford backscattering spectrometry (CRBS). CRBS results indicate a nonlinear growth in damage from which it has been possible to get a threshold fluence, $\phi_0$, for amorphization as $2.5\times 10^{13}$ ions-cm$^{-2}$. For $\phi$ below $\phi_0$, a growth in damage as well as surface roughness has been observed. At a $\phi$ of $1\times 10^{14}$ ions-cm$^{-2}$, damage saturation coupled with a much reduced surface roughness has been found. In this case a power spectrum analysis of AFM data showed a significant drop, in spectral density, as compared to the same obtained for a fluence, $\phi < \phi_0$. This drop, together with damage saturation, can be correlated with a transition to a stress relaxed amorphous phase. Irradiation with similar mass Cs$^-$ ions, at the same energy and fluence, has been found to result in a reduced accumulation of defects in the near surface region leading to reduced surface features.Comment: 7 pages, 4 figure

Near-horizon symmetries of extremal black holes

Recent work has demonstrated an attractor mechanism for extremal rotating black holes subject to the assumption of a near-horizon SO(2,1) symmetry. We prove the existence of this symmetry for any extremal black hole with the same number of rotational symmetries as known four and five dimensional solutions (including black rings). The result is valid for a general two-derivative theory of gravity coupled to abelian vectors and uncharged scalars, allowing for a non-trivial scalar potential. We prove that it remains valid in the presence of higher-derivative corrections. We show that SO(2,1)-symmetric near-horizon solutions can be analytically continued to give SU(2)-symmetric black hole solutions. For example, the near-horizon limit of an extremal 5D Myers-Perry black hole is related by analytic continuation to a non-extremal cohomogeneity-1 Myers-Perry solution.Comment: 21 pages, latex. v2: minor improvements v3: Corrected error in argument excluding de Sitter and Poincare-symmetric cases. Results unaffecte