Probabilistic estimation of the rank 1 cross approximation accuracy

In the construction of low-rank matrix approximation and maximum element search it is effective to use maxvol algorithm. Nevertheless, even in the case of rank 1 approximation the algorithm does not always converge to the maximum matrix element, and it is unclear how often close to the maximum element can be found. In this article it is shown that with a certain degree of randomness in the matrix and proper selection of the starting column, the algorithm with high probability in a few steps converges to an element, which module differs little from the maximum. It is also shown that with more severe restrictions on the error matrix no restrictions on the starting column need to be introduced

Dynamics of ligand substitution in labile cobalt complexes resolved by ultrafast T-jump

Ligand exchange of hydrated metal complexes is common in chemical and biological systems. Using the ultrafast T-jump, we examined this process, specifically the transformation of aqua cobalt (II) complexes to their fully halogenated species. The results reveal a stepwise mechanism with time scales varying from hundreds of picoseconds to nanoseconds. The dynamics are significantly faster when the structure is retained but becomes rate-limited when the octahedral-to-tetrahedral structural change bottlenecks the transformation. Evidence is presented, from bimolecular kinetics and energetics (enthalpic and entropic), for a reaction in which the ligand assists the displacement of water molecules, with the retention of the entering ligand in the activated state. The reaction time scale deviates by one to two orders of magnitude from that of ionic diffusion, suggesting the involvement of a collisional barrier between the ion and the much larger complex

Yellow luminescence in ZnO layers grown on sapphire

We conducted a detailed study of the yellow luminescence (YL) band that has a maximum of 2.19eV at 10K in undoped and N-doped ZnO layers grown on sapphire substrates. Important characteristics of this band and the related defect are established. The YL band is attributed to a transition between a shallow donor and an acceptor with an energy level ∼0.4eV above the valence band. Quenching of the YL intensity with activation energies of 85meV and 0.4eV is observed at temperatures above 100 and 320K, respectively. The YL band is possibly due to a defect complex that may include a Znvacancy

Close to optimal column approximations with a single SVD

The best column approximation in the Frobenius norm with $r$ columns has an error at most $\sqrt{r+1}$ times larger than the truncated singular value decomposition. Reaching this bound in practice involves either expensive random volume sampling or at least $r$ executions of singular value decomposition. In this paper it will be shown that the same column approximation bound can be reached with only a single SVD (which can also be replaced with approximate SVD). As a corollary, it will be shown how to find a highly nondegenerate submatrix in $r$ rows of size $N$ in just $O(Nr^2)$ operations, which mostly has the same properties as the maximum volume submatrix

Low-rank Monte Carlo for Smoluchowski-class equations

The work discusses a new low-rank Monte Carlo technique to solve Smoluchowski-like kinetic equations. It drastically decreases the computational complexity of modeling of size-polydisperse systems. For the studied systems it can outperform the existing methods by more than ten times; its superiority further grows with increasing system size. Application to the recently developed temperature-dependent Smoluchowski equations is also demonstrated.Comment: Submitted to Journal of Computational Physic