Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that needed for full configuration interaction. However, the scaling of such calculations remains combinatorial with system size. Pair coupled cluster doubles (pCCD) is very successful in reproducing DOCI energetically, but ca...

In this research DFT/B3LYP method has been employed to investigate the geometrical structures,relative stabilities, and electronic properties of Cun (n=3–10) clusters for clarifying the effect of sizeon the properties. Through a careful analysis of the successive binding energies, second-orderdifference of energy and the highest occupied-lowest unoccupied molecular orbital energy gaps as afunct...

Although cluster-based multi-tier data centers provide a means for supporting scalable web applications, their ad-hoc configuration poses significant challenges to the performance and economical costs of multi-tier applications. This paper presents the design and implementation of MoKaa utilityaware framework for modeling multi-tier data centers and planning their capacity and optimal configura...

We introduce a rich family of generalizations of the pentagram map sharing the property that each generates an infinite configuration of points and lines with four points on each line. These systems all have a description as Y -mutations in a cluster algebra and hence establish new connections between cluster theory and projective geometry. Résumé. Nous introduisons une famille de généralisatio...