We have developed an order-N method to calculate the total energy and atomic forces for a nonorthogonal tight-binding Hamiltonian. We have first confirmed the validity of our approach by comparing our results with the exact calculation for a small silicon cluster. The efficiency of our approach for a large system is demonstrated by determining the equilibrium configuration of a Si1000 cluster u...

This paper investigates a new cluster synchronization scheme in the nonlinear coupled complex dynamical networks with nonidentical nodes. The controllers are designed based on the community structure of the networks; some sufficient criteria are derived to ensure cluster synchronization of the network model. Particularly, the weight configuration matrix is not assumed to be symmetric, irreducib...

Building on the resource-based perspective, we analyze the combined effects of two highly-valued organizational resources, namely IT capabilities and HRM capabilities, on the competitive performance of SMEs. Three resource configurations are derived from data on 227 SMEs (121 manufacturing SMEs, 106 service SMEs) through a cluster analysis: “IT Capabilities-Dominant Configuration” (ITC), “E-Bus...

Understanding the mechanism behind superior catalytic power of single- or few-atom heterogeneous catalysts has become an important topic in surface chemistry. This is particularly case for gold, with TiO2 being efficient support. Here we use scanning tunneling microscopy/spectroscopy theoretical calculations to investigate adsorption geometry and local electronic structure several-atom Au clust...

The ground-state geometry of the NiC3 and NiC4 clusters is investigated using accurate ab initio methods and compared with predictions using the tight-binding molecular-dynamics ~TBMD! method as well as the density functional theory ~DFT! based SIESTA method. The ab initio methods predict the ground-state geometry of the NiC3 cluster to have a rhomboidal geometry, in agreement with the TBMD met...

A modification of the variational configuration interaction functional in the first-order interacting space for molecular electronic structure is presented. The modified functional is a fully linked expression that by construction is extensive and invariant to transformations of the underlying orbital basis and is exact for an ensemble of separated two-electron subsystems. In addition, an appro...

Wireless sensor networks are event-based systems based on the collaboration of several micro sensor nodes. Due to the limited supply of power at sensor nodes, power efficient configuration of wireless sensor network has become a major design goal to improve the lifetime of the network. The cluster-based wireless sensor network can enhance the whole network lifetime by aggregating the collected ...

A Multi-Agent based approach to clustering using a generic Multi-Agent Data Mining (MADM) framework is described. The process use a collection of agents, running several different clustering algorithms, to determine a “best” cluster configuration. The issue of determining the most appropriate configuration is a challenging one, and is addressed in this paper by considering two metrics, total Wi...