A scheme is reported for the perturbative calculation of spin-orbit coupling (SOC) within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e) in combination with the equation-of-motion coupled-cluster singles and doubles method. Benchmark calculations of the spin-orbit splittings in 2Π and 2P radicals show that the accurate inclusion of scalar-relativistic effects us...

Cost-effectiveness studies of medical innovations often suffer from data inadequacy. When Markov chains are used as a modeling framework for such studies, this data inadequacy can manifest itself as imprecise estimates for many elements of the transition matrix. In this paper, we study how to compute maximal and minimal values for the discounted value of the chain (with respect to a vector of s...

As computers come to be used in more and more settings, the importance of digital signal processing increases in parallel. It has become a fundamental necessity to train both undergraduate and postgraduate engineers in this subject. The article which follows gives one approach to this teaching, a series of web-based practical sessions on signal and pattern recognition in a virtual laboratory (v...

Data models are representation systems for structural modelling of physical systems. Data models application results in databases that are amenable to computation enabling the modeller to interact with them for information retrieval, hypotheses testing, comparisons etc. In this paper we initially approach the didactic and learning value of data modelling for database design in terms of the feat...

groundwaters hydrochemistry of ayrakan and cheshmeh shotori areas and geochemistry of rare earth elements, indicate ayrakan alkali granite as the origin of uranium and other dissolved elements in groundwaters of these areas. geochemical and hydrogeochemical studies as well as the trend of uranium and thorium transition and mobility in aqueous environments of these areas indicate uranium adsorpt...