Developing the MTO Formalism

We review the simple linear muffin-tin orbital method in the atomic-spheres approximation and a tight-binding representation (TB-LMTO-ASA method), and show how it can be generalized to an accurate and robust Nth order muffin-tin orbital (NMTO) method without increasing the size of the basis set and without complicating the formalism. On the contrary, downfolding is now more efficient and the formalism is simpler and closer to that of screened multiple-scattering theory. The NMTO method allows one to solve the single-electron Schroedinger equation for a MT-potential -in which the MT-wells may overlap- using basis sets which are arbitrarily minimal. The substantial increase in accuracy over the LMTO-ASA method is achieved by substitution of the energy-dependent partial waves by so-called kinked partial waves, which have tails attached to them, and by using these kinked partial waves at N+1 arbitrary energies to construct the set of NMTOs. For N=1 and the two energies chosen infinitesimally close, the NMTOs are simply the 3rd-generation LMTOs. Increasing N, widens the energy window, inside which accurate results are obtained, and increases the range of the orbitals, but it does not increase the size of the basis set and therefore does not change the number of bands obtained. The price for reducing the size of the basis set through downfolding, is a reduction in the number of bands accounted for and -unless N is increased- a narrowing of the energy window inside which these bands are accurate. A method for obtaining orthonormal NMTO sets is given and several applications are presented.Comment: 85 pages, Latex2e, Springer style, to be published in: Lecture notes in Physics, edited by H. Dreysse, (Springer Verlag

Squeezed state purification with linear optics and feed forward

A scheme for optimal and deterministic linear optical purification of mixed squeezed Gaussian states is proposed and experimentally demonstrated. The scheme requires only linear optical elements and homodyne detectors, and allows the balance between purification efficacy and squeezing degradation to be controlled. One particular choice of parameters gave a ten-fold reduction of the thermal noise with a corresponding squeezing degradation of only 11%. We prove optimality of the protocol, and show that it can be used to enhance the performance of quantum informational protocols such as dense coding and entanglement generation.Comment: 4 pages, 3 figure

Three loop HTL perturbation theory at finite temperature and chemical potential

In this proceedings contribution we present a recent three-loop hard-thermal-loop perturbation theory (HTLpt) calculation of the thermodynamic potential for a finite temperature and chemical potential system of quarks and gluons. We compare the resulting pressure, trace anomaly, and diagonal/off-diagonal quark susceptibilities with lattice data. We show that there is good agreement between the three-loop HTLpt analytic result and available lattice data.Comment: 4 pages, 4 figure

Anisotropies in insulating La2−x_{2-x}Srx_xCuO4_4: angular resolved photoemission and optical absorption

Due to the orthorhombic distortion of the lattice, the electronic hopping integrals along the $a$ and $b$ diagonals, the orthorhombic directions, are slightly different. We calculate their difference in the LDA and find $t_{a}^{\prime}-t_{b}^{\prime}\approx 8$meV. We argue that electron correlations in the insulating phase of La$_{2-x}$Sr$_{x}$CuO$_{4}$, i. e. at doping $x\leq 0.055,$ dramatically enhance the $(t_{a}^{\prime}-t_{b}^{\prime})$-splitting between the $a$- and $b$-hole valleys. In particular, we predict that the intensity of both angle-resolved photoemission and of optical absorption is very different for the $a$ and $b$ nodal points

Screened Perturbation Theory to Three Loops

The thermal physics of a massless scalar field with a phi^4 interaction is studied within screened perturbation theory (SPT). In this method the perturbative expansion is reorganized by adding and subtracting a mass term in the lagrangian. We consider several different mass prescriptions that generalize the one-loop gap equation to two-loop order. We calculate the pressure and entropy to three-loop order and the screening mass to two-loop order. In contrast to the weak-coupling expansion, the SPT-improved approximations appear to converge even for rather large values of the coupling constant.Comment: 30 pages, 10 figure

Variation in the seston C:N ratio of the Arctic Ocean and pan-Arctic shelves

Studying more than 3600 observations of particulate organic carbon (POC) and particulate organic nitrogen (PON), we evaluate the applicability of the classic Redfield C:N ratio (6.6) and the recently proposed Sterner ratio (8.3) for the Arctic Ocean and pan-Arctic shelves. The confidence intervals for C:N ranged from 6.43 to 8.82, while the average C:N ratio for all observations was 7.4. In general, neither the Redfield or Sterner ratios were applicable, with the Redfield ratio being too low and the Sterner ratio too high. On a regional basis, all northern high latitude regions had a C:N ratio significantly higher than the Redfield ratio, except the Arctic Ocean (6.6), Chukchi (6.4) and East Siberian (6.5) Seas. The latter two regions were influenced by nutrient-rich Pacific waters, and had a high fraction of autotrophic (i.e. algal-derived) material. The C:N ratios of the Laptev (7.9) and Kara (7.5) Seas were high, and had larger contributions of terrigenous material. The highest C:N ratios were in the North Water (8.7) and Northeast Water (8.0) polynyas, and these regions were more similar to the Sterner ratio. The C:N ratio varied between regions, and was significantly different between the Atlantic (6.7) and Arctic (7.9) influenced regions of the Barents Sea, while the Atlantic dominated regions (Norwegian, Greenland and Atlantic Barents Seas) were similar (6.7–7). All observations combined, and most individual regions, showed a pattern of decreasing C:N ratios with increasing seston concentrations. This meta-analysis has important implications for ecosystem modelling, as it demonstrated the striking temporal and spatial variability in C:N ratios and challenges the common assumption of a constant C:N ratio. The non-constant stoichiometry was believed to be caused by variable contributions of autotrophs, heterotrophs and detritus to seston, and a significant decrease in C:N ratios with increasing Chlorophyll a concentrations supports this view. This study adds support to the use of a power function model, where the exponent is system-specific, but we suggest a general Arctic relationship, where POC = 7.4 PON0.89

Third-Generation TB-LMTO

We describe the screened Korringa-Kohn-Rostoker (KKR) method and the third-generation linear muffin-tin orbital (LMTO) method for solving the single-particle Schroedinger equation for a MT potential. The simple and popular formalism which previously resulted from the atomic-spheres approximation (ASA) now holds in general, that is, it includes downfolding and the combined correction. Downfolding to few-orbital, possibly short-ranged, low-energy, and possibly orthonormal Hamiltonians now works exceedingly well, as is demonstrated for a high-temperature superconductor. First-principles sp3 and sp3d5 TB Hamiltonians for the valence and lowest conduction bands of silicon are derived. Finally, we prove that the new method treats overlap of the potential wells correctly to leading order and we demonstrate how this can be exploited to get rid of the empty spheres in the diamond structure.Comment: latex2e, 32 printed pages, Postscript figs, to be published in: Tight-Binding Approach to Computational Materials Science, MRS Symposia Proceedings No. 491 (MRS, Pittsburgh, 1998

Inducing spin-dependent tunneling to probe magnetic correlations in optical lattices

We suggest a simple experimental method for probing antiferromagnetic spin correlations of two-component Fermi gases in optical lattices. The method relies on a spin selective Raman transition to excite atoms of one spin species to their first excited vibrational mode where the tunneling is large. The resulting difference in the tunneling dynamics of the two spin species can then be exploited, to reveal the spin correlations by measuring the number of doubly occupied lattice sites at a later time. We perform quantum Monte Carlo simulations of the spin system and solve the optical lattice dynamics numerically to show how the timed probe can be used to identify antiferromagnetic spin correlations in optical lattices.Comment: 5 pages, 5 figure