Ab-initio self-consistent Gorkov-Green's function calculations of semi-magic nuclei - II. Numerical implementation at second order with a two-nucleon interaction

The newly developed Gorkov-Green's function approach represents a promising path to the ab initio description of medium-mass open-shell nuclei. We discuss the implementation of the method at second order with a two-body interaction, with particular attention to the numerical solution of Gorkov's equation. Different sources of theoretical error and degrees of self-consistency are investigated. We show that Krylov projection techniques with a multi-pivot Lanczos algorithm efficiently handle the growth of poles in the one-body Green's function when Gorkov's equation is solved self-consistently. The end result is a tractable, accurate and gently scaling ab initio scheme applicable to full isotopic chains in the medium-mass region.Comment: 17 pages, 13 figure

Numerical renormalization group study of random transverse Ising models in one and two space dimensions

The quantum critical behavior and the Griffiths-McCoy singularities of random quantum Ising ferromagnets are studied by applying a numerical implementation of the Ma-Dasgupta-Hu renormalization group scheme. We check the procedure for the analytically tractable one-dimensional case and apply our code to the quasi-one-dimensional double chain. For the latter we obtain identical critical exponents as for the simple chain implying the same universality class. Then we apply the method to the two-dimensional case for which we get estimates for the exponents that are compatible with a recent study in the same spirit.Comment: 10 pages LaTeX, eps-figures and PTP-macros included. Proceedings of the ICCP5, Kanazawa (Japan), 199

Numerical analysis of the dissipative two-state system with the density-matrix Hilbert-space-reduction algorithm

Ground state of the dissipative two-state system is investigated by means of the Lanczos diagonalization method. We adopted the Hilbert-space-reduction scheme proposed by Zhang, Jeckelmann and White so as to reduce the overwhelming reservoir Hilbert space to being tractable in computers. Both the implementation of the algorithm and the precision applied for the present system are reported in detail. We evaluate the dynamical susceptibility (resolvent) with the continued-fraction-expansion formula. Through analysing the resolvent over a frequency range, whose range is often called `interesting' frequency, we obtain the damping rate and the oscillation frequency. Our results agree with those of a recent quantum Monte-Carlo study, which concludes that the critical dissipation from oscillatory to over-damped behavior decreases as the tunneling amplitude is strengthened

Time-dependent quantum transport: A practical scheme using density functional theory

We present a computationally tractable scheme of time-dependent transport phenomena within open-boundary time-dependent density-functional-theory. Within this approach all the response properties of a system are determined from the time-propagation of the set of ``occupied'' Kohn-Sham orbitals under the influence of the external bias. This central idea is combined with an open-boundary description of the geometry of the system that is divided into three regions: left/right leads and the device region (``real simulation region''). We have derived a general scheme to extract the set of initial states in the device region that will be propagated in time with proper transparent boundary-condition at the device/lead interface. This is possible due to a new modified Crank-Nicholson algorithm that allows an efficient time-propagation of open quantum systems. We illustrate the method in one-dimensional model systems as a first step towards a full first-principles implementation. In particular we show how a stationary current develops in the system independent of the transient-current history upon application of the bias. The present work is ideally suited to study ac transport and photon-induced charge-injection. Although the implementation has been done assuming clamped ions, we discuss how it can be extended to include dissipation due to electron-phonon coupling through the combined simulation of the electron-ion dynamics as well as electron-electron correlations.Comment: 14 pages, 9 figures, one of which consist of two separate file

A Tractable Forward-Backward CPHD Smoother

To circumvent the intractability of the usual Cardinalized Probability Hypothesis Density (CPHD) smoother, we present an approximate scheme where the population of targets born until and after the starting time of the smoothing are estimated separately and where smoothing is only applied to the estimate of the former population. The approach is illustrated through the implementation of a tractable approximation of the usual CPHD smoother