Analog of Rabi oscillations in resonant electron-ion systems

Quantum coherence between electron and ion dynamics, observed in organic semiconductors by means of ultrafast spectroscopy, is the object of recent theoretical and computational studies. To simulate this kind of quantum coherent dynamics, we have introduced in a previous article [L. Stella, M. Meister, A. J. Fisher, and A. P. Horsfield, J. Chem. Phys. 127, 214104 (2007)] an improved computational scheme based on Correlated Electron-Ion Dynamics (CEID). In this article, we provide a generalization of that scheme to model several ionic degrees of freedom and many-body electronic states. To illustrate the capability of this extended CEID, we study a model system which displays the electron-ion analog of the Rabi oscillations. Finally, we discuss convergence and scaling properties of the extended CEID along with its applicability to more realistic problems. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3589165]

PALLADIUM CATALYZED TANDEM CYCLIZATION-ANION CAPTURE PROCESSES .1. BACKGROUND AND HYDRIDE ION CAPTURE BY ALKYL-PALLADIUM AND PI-ALLYL-PALLADIUM SPECIES

A new, wide ranging, synthetically powerful, catalytic tandem cyclisation-anion capture process is proposed which depends on the rate of cyclisation of an organopalladium specifies (RPdX) onto a proximate alkene or diene being significantly faster than anion exchange and reductive elimination in the sequence RPdX --> RPdY --> RY + Pd(0). The catalytic cyclisation - anion capture sequence is illustrated for hydride capture by a wide variety of substrates giving rise to fused- and spiro-, carbo- and hetero-cyclic systems, regio- and stereo-specifically.

Energy Saving - Another Perspective for Parameter Optimization of P and PI Controllers

Modern control methods like optimal control and model predictive control (MPC) provide a framework for simultaneous regulation of the tracking performance and limiting the control energy, thus have been widely deployed in industrial applications. Yet, due to its simplicity and robustness, the conventional P (Proportional) and PI (Proportional–Integral) control are still the most common methods used in many engineering systems, such as electric power systems, automotive, and Heating, Ventilation and Air Conditioning (HVAC) for buildings, where energy efficiency and energy saving are the critical issues to be addressed. Yet, little has been done so far to explore the effect of its parameter tuning on both the system performance and control energy consumption, and how these two objectives are correlated within the P and PI control framework. In this paper, the P and PI controllers are designed with a simultaneous consideration of these two aspects. Two case studies are investigated in detail, including the control of Voltage Source Converters (VSCs) for transmitting offshore wind power to onshore AC grid through High Voltage DC links, and the control of HVAC systems. Results reveal that there exists a better trade-off between the tracking performance and the control energy through a proper choice of the P and PI controller parameters.