Conditions for describing triplet states in reduced density matrix functional theory

We consider necessary conditions for the one-body-reduced density matrix (1RDM) to correspond to a triplet wave-function of a two electron system. The conditions concern the occupation numbers and are different for the high spin projections, $S_z=\pm 1$, and the $S_z=0$ projection. Hence, they can be used to test if an approximate 1RDM functional yields the same energies for both projections. We employ these conditions in reduced density matrix functional theory calculations for the triplet excitations of two-electron systems. In addition, we propose that these conditions can be used in the calculation of triplet states of systems with more than two electrons by restricting the active space. We assess this procedure in calculations for a few atomic and molecular systems. We show that the quality of the optimal 1RDMs improves by applying the conditions in all the cases we studied

Gravitational lensing statistics with extragalactic surveys. II. Analysis of the Jodrell Bank-VLA Astrometric Survey

We present constraints on the cosmological constant $\lambda_{0}$ from gravitational lensing statistics of the Jodrell Bank-VLA Astrometric Survey (JVAS). Although this is the largest gravitational lens survey which has been analysed, cosmological constraints are only comparable to those from optical surveys. This is due to the fact that the median source redshifts of JVAS are lower, which leads to both relatively fewer lenses in the survey and a weaker dependence on the cosmological parameters. Although more approximations have to be made than is the case for optical surveys, the consistency of the results with those from optical gravitational lens surveys and other cosmological tests indicate that this is not a major source of uncertainty in the results. However, joint constraints from a combination of radio and optical data are much tighter. Thus, a similar analysis of the much larger Cosmic Lens All-Sky Survey should provide even tighter constraints on the cosmological constant, especially when combined with data from optical lens surveys. At 95% confidence, our lower and upper limits on $\lambda_{0}-\Omega_{0}$, using the JVAS lensing statistics information alone, are respectively -2.69 and 0.68. For a flat universe, these correspond to lower and upper limits on \lambda_{0} of respectively -0.85 and 0.84. Using the combination of JVAS lensing statistics and lensing statistics from the literature as discussed in Quast & Helbig (Paper I) the corresponding $\lambda_{0}-\Omega_{0}$ values are -1.78 and 0.27. For a flat universe, these correspond to lower and upper limits on $\lambda_{0}$ of respectively -0.39 and 0.64.Comment: LaTeX, 9 pages, 18 PostScript files in 6 figures. Paper version available on request. Data available from http://gladia.astro.rug.nl:8000/ceres/data_from_papers/papers.htm

The Role of Viperin in the Innate Antiviral Response

AbstractViral infection of the cell is able to initiate a signaling cascade of events that ultimately attempts to limit viral replication and prevent escalating infection through expression of host antiviral proteins. Recent work has highlighted the importance of the host antiviral protein viperin in this process, with its ability to limit a large variety of viral infections as well as play a role in the production of type I interferon and the modulation of a number of transcription factor binding sites. Viperin appears to have the ability to modulate varying conditions within the cell and to interfere with proviral host proteins in its attempts to create an unfavorable environment for viral replication. The study of the mechanistic actions of viperin has come a long way in recent years, describing important functional domains of the protein for its antiviral and immune modulator actions as well as demonstrating its role as a member of the radical SAM enzyme family. However, despite the rapid expansion of knowledge regarding the functions of this highly conserved and ancient antiviral protein, there still remains large gaps in our understanding of the precise mechanisms at play for viperin to exert such a wide variety of roles within the cell

A general and practical method for calculating cosmological distances

The calculation of distances is of fundamental importance in extragalactic astronomy and cosmology. However, no practical implementation for the general case has previously been available. We derive a second-order differential equation for the angular size distance valid not only in all {\em homogeneous\/} Friedmann-Lemaitre cosmological models, parametrised by \lambda_{0} and \Omega_{0}, but also in {\em inhomogeneous\/} `on-average' Friedmann-Lemaitre models, where the inhomogeneity is given by the (in the general case redshift-dependent) parameter \eta. Since most other cosmological distances can be obtained trivially from the angular size distance, and since the differential equation can be efficiently solved numerically, this offers for the first time a practical method for calculating distances in a large class of cosmological models. We also briefly discuss our numerical implementation, which is publicly available

Exchange-energy functionals for finite two-dimensional systems

Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with electrons in quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.Comment: 5 pages, 3 figure

Exchange-correlation orbital functionals in current-density-functional theory: Application to a quantum dot in magnetic fields

The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a two-dimensional quantum dot in external magnetic fields is investigated. Excellent agreement with quantum Monte Carlo results is obtained when self-interaction corrected correlation energies from the standard local spin-density approximation are added to exact-exchange results. Full self-consistency within the complete current-spin-density-functional framework is found to be of minor importance.Comment: 5 pages, 2 figures, submitted to PR