We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications. Existing implementations of DMRG for quantum chemistry are based on the traditional formulation of the method, which was developed from the point of view of Hilbert s...

Because of their flexibility, recently, much attention has been given to the study generalized distributions. A complete transmuted Kumaraswamy Logistic distribution is proposed, introducing some basic properties this distribution, such as quantile function, characteristic function and entropy are derived, well derivation maximum likelihood estimates parameters information matrix, Real life dat...

A combinatorial approach to compressive sensing based on a deterministic column replacement technique is proposed. Informally, it takes as input a pattern matrix and ingredient measurement matrices, and results in a larger measurement matrix by replacing elements of the pattern matrix with columns from the ingredient matrices. This hierarchical technique yields great flexibility in sparse signa...

Real-time electronic speckle pattern interferometry method has been applied to study the diffusion behavior of levofloxacin mesylate (MSALVFX) in agarose hydrogel. The results show that the diffusivity of solute decreases with the increase of concentration of agarose and adapts to Kohlrausch's law. Furthermore, Amsden's model, based on the retardance effect associated with polymer chain flexibi...

Flexibility has become an important priority in the formulation and implementation of manufacturing strategies. This in turn has opened up a new class of design problems for such systems. Flexible assembly systems (FAS), consisting of a variety of processors and operations, provide the opportunity for improving product manufacturing flexibility, hence gaining competitive advantages. This paper ...

curve flexibility in adolescent idiopathic scoliosis (ais) was one of the major concerns of spinal surgeons since the evolution of surgical correction techniques. in this respect, many tried to identify which criteria denote more rigid curve. in the present study, we aimed toward determining important factors influencing ais curve flexibility on supine bending films. we assessed radiographs of ...

Methods for damage localization, based on modal parameters, are validated by means of numerical examples and experiments. In this paper, different load and damage cases are simulated with a Finite-Element model of a prestressed reinforced concrete bridge. Taking nonlinear material behaviour into account, realistic crack propagations and decrease of stiffness can be detected. The damage is local...

Most protein design algorithms search over discrete conformations and an energy function that is residue-pairwise, that is, a sum of terms that depend on the sequence and conformation of at most two residues. Although modeling of continuous flexibility and of non-residue-pairwise energies significantly increases the accuracy of protein design, previous methods to model these phenomena add a sig...

TGFβ plays key roles in fibrosis and cancer progression, and latency is conferred by covalent linkage to latent TGFβ binding proteins (LTBPs). LTBP1 is essential for TGFβ folding, secretion, matrix localization and activation but little is known about its structure due to its inherent size and flexibility. Here we show that LTBP1 adopts an extended conformation with stable matrix-binding N-term...