Theoretical study of spin-orbit coupling constants for O+2 (A 2Π3/2,1/2u, v+=0–17 and a 4Π5/2,3/2,1/2,−1/2u, v+=0–25)

The spin-orbit coupling constants (Av+) for O+2(A 2Πu,v+=0–17) and O+2(a 4Πu,v+=0–25) were computed based on the Pauli–Breit Hamiltonian with one and two electron terms for comparison with experimental measurements. In the present theoretical study, the vibrational wave functions are obtained using the potential energy curve calculated at the multireference configuration interaction (MRCI) level of theory, with single and double excitations from the complete active space self-consistent field (CASSCF) reference wave function. The electronic wave functions and spin-orbit coupling constants are obtained at the CASSCF and restricted MRCI levels. The effect on Av+ for O+2(A 2Πu,v+) and O+2(a 4Πu,v+) due to interactions of the O+2(A 2Πu,v+), O+2(a 4Πu,v+), and O+2(2Σ+u)states is examined. The theoretical Av+ predictions for O+2(A 2Πu,v+) are found to be consistent with the experimental finding that O+2(A 2Πu) is an inverted spin-orbit state at low v+ levels and becomes a regular spin-orbit state at higher v+ levels. Good accord between theoretical predictions and experimental results for O+2(A 2Πu,v+=0–12) is observed with discrepancies in the range of 2–10 cm−1. In the case of O+2(a 4Πu,v+), excellent agreement between theoretical ab initio and experimental results is found with a discrepancy of 2–5 cm−1. Our effort to theoretically reproduce experimental fine structure in the Av+ curve for O+2(a 4Πu,v+) based on interstate vibrational interactions has met with limited success

An Experimental and Theoretical Study of the Spin–Orbit Interaction for CO+(A 2Π3/2,1/2, v+=0–41) and O+2(X 2Π3/2,1/2g, v+=0–38)

Accurate spin–orbit splitting constants (Av+) for the vibrational levels v+=0–41 of CO+(A 2Π3/2,1/2) have been determined in a rotationally resolved pulsed field ionization photoelectron study. A change in slope is observed in the v+ dependence for Av+ at v+≈19–20. This observation is attributed to perturbation of the CO+(A 2Π) potential by the CO+(B 2Σ+) state. Theoretical Av+ values for CO+(A 2Π3/2,1/2, v+=0–41) have also been obtained using a newly developed ab initio computational routine for spin–orbit coupling calculations. The theoretical Av+ predictions computed using this routine are found to be in agreement with the experimental Av+ values for CO+(A 2Π3/2,1/2, v+=0–41). Similar Av+calculations obtained for O+2(X 2Π3/2,1/2g, v+=0–38) are also in accord with the recent experimental Av+ values reported by Song et al. [J. Chem. Phys. 111, 1905 (1999)]

A new perturbation treatment applied to the transport through a quantum dot

Resonant tunnelling through an Anderson impurity is investigated by employing a new perturbation scheme at nonequilibrium. This new approach gives the correct weak and strong coupling limit in $U$ by introducing adjustable parameters in the self-energy and imposing self-consistency of the occupation number of the impurity. We have found that the zero-temperature linear response conductance agrees well with that obtained from the exact sum rule. At finite temperature the conductance shows a nonzero minimum at the Kondo valley, as shown in recent experiments. The effects of an applied bias voltage on the single-particle density of states and on the differential conductances are discussed for Kondo and non-Kondo systems.Comment: 4 pages, 4 figures, submitted to PRB-Rapid Comm. Email addresses [email protected], [email protected]

Kondo time scales for quantum dots - response to pulsed bias potentials

The response of a quantum dot in the Kondo regime to rectangular pulsed bias potentials of various strengths and durations is studied theoretically. It is found that the rise time is faster than the fall time, and also faster than time scales normally associated with the Kondo problem. For larger values of the pulsed bias, one can induce dramatic oscillations in the induced current with a frequency approximating the splitting between the Kondo peaks that would be present in steady state. The effect persists in the total charge transported per pulse, which should facilitate the experimental observation of the phenomenon.Comment: 5 pages with 4 encapsulated figures which come in separate postscript files: latex file: text.tex figures: fig1.eps, fig2.eps, fig3.eps, fig4.ep

Metabolic reprogramming of human CD8+ memory T cells through loss of SIRT1.

The expansion of CD8+CD28- T cells, a population of terminally differentiated memory T cells, is one of the most consistent immunological changes in humans during aging. CD8+CD28- T cells are highly cytotoxic, and their frequency is linked to many age-related diseases. As they do not accumulate in mice, many of the molecular mechanisms regulating their fate and function remain unclear. In this paper, we find that human CD8+CD28- T cells, under resting conditions, have an enhanced capacity to use glycolysis, a function linked to decreased expression of the NAD+-dependent protein deacetylase SIRT1. Global gene expression profiling identified the transcription factor FoxO1 as a SIRT1 target involved in transcriptional reprogramming of CD8+CD28- T cells. FoxO1 is proteasomally degraded in SIRT1-deficient CD8+CD28- T cells, and inhibiting its activity in resting CD8+CD28+ T cells enhanced glycolytic capacity and granzyme B production as in CD8+CD28- T cells. These data identify the evolutionarily conserved SIRT1-FoxO1 axis as a regulator of resting CD8+ memory T cell metabolism and activity in humans

Transmission Phase Shift of a Quantum Dot with Kondo Correlations

We study the effects of Kondo correlations on the transmission phase shift of a quantum dot in an Aharonov-Bohm ring. We predict in detail how the development of a Kondo resonance should affect the dependence of the phase shift on transport voltage, gate voltage and temperature. This system should allow the first direct observation of the well-known scattering phase shift of pi/2 expected (but not directly measurable in bulk systems) at zero temperature for an electron scattering off a spin-1/2 impurity that is screened into a singlet.Comment: 4 pages Revtex, 4 figures, final published versio

Nonlinear Response of a Kondo system: Direct and Alternating Tunneling Currents

Non - equilibrium tunneling current of an Anderson impurity system subject to both constant and alternating electric fields is studied. A time - dependent Schrieffer - Wolff transformation maps the time - dependent Anderson Hamiltonian onto a Kondo one. Perturbation expansion in powers of the Kondo coupling strength is carried out up to third order, yielding a remarkably simple analytical expression for the tunneling current. It is found that the zero - bias anomaly is suppressed by an ac - field. Both dc and the first harmonic are equally enhanced by the Kondo effect, while the higher harmonics are relatively small. These results are shown to be valid also below the Kondo temperature.Comment: 7 pages, RevTeX, 3 PS figures attached, the article has been significantly developed: time - dependent Schrieffer - Wolff transformation is presented in the full form, the results are applied to the change in the direct current induced by an alternating field (2 figures are new

Transport through Quantum Dots: Analytic Results from Integrability

Recent experiments have probed quantum dots through transport measurements in the regime where they are described by a two lead Anderson model. In this paper we develop a new method to analytically compute for the first time the corresponding transport properties. This is done by using the exact solvability of the Anderson Hamiltonian, together with a generalization of the Landauer-Buttiker approach to integrable systems. The latter requires proper identification of scattering states, a complex and crucial step in our approach. In the Kondo regime, our results include the zero-field, finite temperature linear response conductance, as well as the zero-temperature, non-equilibrium conductance in an applied Zeeman field.Comment: 5 pages, 3 figure

Excess Kondo resonance in a quantum dot device with normal and superconducting leads: the physics of Andreev-normal co-tunneling

We report on a novel Kondo phenomenon of interacting quantum dots coupled asymmetrically to a normal and a superconducting lead. The effects of intradot Coulomb interaction and Andreev tunneling give rise to Andreev bound resonances. As a result, a new type of co-tunneling process which we term Andreev-normal co-tunneling, is predicted. At low temperatures, coherent superposition of these co-tunneling processes induces a Kondo effect in which Cooper pairs directly participate formation of a spin singlet, leading to four Kondo resonance peaks in the local density of states, and enhancing the tunneling current.Comment: 4 pages, 2 figures, Late

Modified Perturbation Theory Applied to Kondo-Type Transport through a Quantum Dot under a Magnetic Field

Linear conductance through a quantum dot is calculated under a finite magnetic field using the modified perturbation theory. The method is based on the second-order perturbation theory with respect to the Coulomb repulsion, but the self-energy is modified to reproduce the correct atomic limit and to fulfill the Friedel sum rule exactly. Although this method is applicable only to zero temperature in a strict sense, it is approximately extended to finite temperatures. It is found that the conductance near electron-hole symmetry is suppressed by the application of the magnetic field at low temperatures. Positive magnetoconductance is observed in the case of large electron-hole asymmetry.Comment: 4pages, 5 figure