An improved density matrix functional [correction to Buijse and Baerends functional (BBC)] is proposed, in which a hierarchy of physically motivated repulsive corrections is employed to the strongly overbinding functional of Buijse and Baerends (BB). The first correction C1 restores the repulsive exchange-correlation (xc) interaction between electrons in weakly occupied natural orbitals (NOs) a...

The base of the world economic pyramid consists of 4 billion people typically earning less than 4 USD per day. This population is generally called the base of the pyramid (BoP). Much research on BoP markets focuses on motivating companies to enter these markets to create a win-win situation such that companies can gain benefits and BoP customers can satisfy their unmet or under-served needs. Th...

This paper examines portfolios within the framework of a dynamic asset-pricing model when investors can trade equity assets as well as bonds of many different maturities. We specify the model so that investors have demand for both a risky and a safe income stream. We characterize the resulting optimal equilibrium stock and bond portfolios and document that optimal bond investment strategies par...

ELF is a function of the 3D-coordinates which is large in the regions where orbitals localize. It is closely related to LOL and the Fermi hole mobility function. While it has been used with considerable success for analyzing the chemical bond in molecules and crystals, it seems to have some intrinsic limits, which are discussed. q 2005 Elsevier B.V. All rights reserved.

To understand the structural basis of biology, it is necessary to understand the transformations of macromolecules during functional cycles. These changes can involve large-scale conformational transformations, changes in the state of ligation or association, changes in dynamics, or alterations in covalent bond structure. X-ray crystallography and NMR spectroscopy have been invaluable for the d...

We study controlled generation and measurement of superfluid d-wave resonating valence bond (RVB) states of fermionic atoms in 2D optical lattices. Starting from loading spatial and spin patterns of atoms in optical superlattices as pure quantum states from a Fermi gas, we adiabatically transform this state to an RVB state by a change of the lattice parameters. Results of exact time-dependent n...

Introducing organic molecules in electronics, in general, and as active electronic transport components, in particular, is to no small degree limited by the ability to connect them electrically to the outside world. Making useful electrical contacts to them requires achieving this either without altering the molecules, or if they are affected, then in a controlled fashion. This is not a trivial...

• It contextualises the UCIB as neglected species of local government debt. decomposes into a spatial layer and financial level relative risk factor. highlights that plays strategically important role bridge between China’s emerging capital market development real economy. This paper examines Urban Construction Investment Bond (UCIB) tradable product in tool for China. The this is contextualise...

Background and Aim: Considering the increasing use of antibiotics in root canal therapy and the possible effects of intracanal medicaments on the bond strength of composite restorations, the aim of this study was to evaluate the effect of triple antibiotic paste (TAP) on shear bond strength of three types of composite resins to dentin. Materials and Methods: In this in-vitro, experimental st...

We report a facile synthetic strategy to prepare UBL-AMP electrophilic probes that form a covalent bond with the catalytic cysteine of cognate E1s, mimicking the tetrahedral intermediate of the E1-UBL-AMP complex. These probes enable the structural and biochemical study of both canonical- and non-canonical E1s.