Seniority Number in Valence Bond Theory

In this work, a hierarchy of valence bond (VB) methods based on the concept of seniority number, defined as the number of singly occupied orbitals in a determinant or an orbital configuration, is proposed and applied to the studies of the potential energy curves (PECs) of H₈, N₂, and C₂ molecules. It is found that the seniority-based VB expansion converges more rapidly toward the full configuration interaction (FCI) or complete active space self-consistent field (CASSCF) limit and produces more accurate PECs with smaller nonparallelity errors than its molecular orbital (MO) theory-based analogue. Test results reveal that the nonorthogonal orbital-based VB theory provides a reverse but more efficient way to truncate the complete active Hilbert space by seniority numbers

Visualization 1: Design of a superoscillatory lens for a polarized beam

Structures of the SOLs in Figure 2. Originally published in JOSA B on 01 August 2015 (josab-32-8-1731

Visualization 2: Design of a superoscillatory lens for a polarized beam

Structures of the SOLs in Table 1. Originally published in JOSA B on 01 August 2015 (josab-32-8-1731

Biocompatible, Functional Spheres Based on Oxidative Coupling Assembly of Green Tea Polyphenols

Green luminescent, monodisperse, smooth, porous and hollow spheres were simply prepared by Cu²⁺ and temperature mediated oxidative coupling assembly of green tea polyphenols in water. These polymeric tea polyphenol spheres are GSH responsive, acid resistant but alkali-responsive, ideally used as platform for controlled delivery of functional guests

Relationship between ecosystem coordination and health assessment.

<p>Relationship between ecosystem coordination and health assessment.</p

Map of Pearl River Estuary.

<p>Map of Pearl River Estuary.</p

Contributions of ecosystem structure and services to coordination.

<p>Contributions of ecosystem structure and services to coordination.</p

Trends of ecosystem health index in the Pearl River Estuary.

<p>(a) the ecosystem variability indexes from 1980 to 2005, (b) the ecosystem variability indexes from 2005 to 2009, (c) the ecosystem health index from 1980 to 2009.</p

Media 1: Fractional second-harmonic Talbot effect

Originally published in Optics Letters on 15 February 2012 (ol-37-4-689

Figures S1 - S5 from Preparation of core–shell structured CaCO₃ microspheres as rapid and recyclable adsorbent for anionic dyes

N₂ adsorption/desorption isotherms and pore-size distribution (inset) of the obtained core-shell structured CaCO₃ MSs; TG analysis of Hesp (a), pure CaCO₃ without Hesp and the obtained core-shell structured CaCO₃ MSs (b).; SEM image of the CaCO₃ MSs after 5 recycling experiments.; N₂ adsorption/desorption isotherms and pore-size distribution (inset) of the CaCO₃ MSs after 5 recycling experiments.; Three-dimensional histogram of the dye adsorption efficiency on the CaCO₃ MSs in 6-10th cycles of the adsorption-desorption