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We present a diagrammatic decomposition of the transition pair correlation function for the uniform electron gas. We demonstrate explicitly that ring and ladder diagrams are dual counterparts that capture significant long- and short-ranged interelectronic correlation effects, respectively. Our findings help to guide the further development of approximate many-electron theories and reveal that the contribution of the ladder diagrams to the electronic correlation energy can be approximated in an effective manner using second-order perturbation theory. We employ the latter approximation to reduce the computational cost of coupled cluster theory calculations for insulators and semiconductors by 2 orders of magnitude without compromising accuracy.
This article was published in the following journal.
Name: Physical review letters
A balanced treatment of dynamic and static electron correlation is important in computational chemistry, and multireference perturbation theory (MRPT) is able to do this at a reasonable computational ...
β-lactam antibiotics, which are used to treat infectious diseases, are currently the most widely used class of antibiotics. This study focused on the chemical reactivity of five- and six-membered rin...
It is estimated that approximately 24% of the US population has at least one tattoo. However, tattoo ink ingredients include heavy metals (high atomic number Z) that are not regulated, which can cause...
Numerous efforts to generate "connectomes," or synaptic wiring diagrams, of large neural circuits or entire nervous systems are currently underway. These efforts promise an abundance of data to guide ...
In this work, we define a set of design requirements relating to Sankey diagrams for supporting FoodEnergy-Water (FEW) nexus understanding, and propose the NEST diagram design, a visualization design ...
This study will test laryngeal adaptation in speech and swallowing function in healthy adults, in patients with cerebral stroke, and in patients with spinocerebellar ataxia type 6. The fin...
Manufacturer's diagrams showing defibrillation pad positioning (as used on public access defibrillators) are anatomically incorrect and are likely to lead to poor position of defibrillatio...
Physical exercise can prevent falls, certain types of exercise may be more effective. Perturbation-based balance training is a novel intervention involving repeated postural perturbations ...
In earlier work, the Sponsor developed a computer image processing system for analysis of pain diagrams from patients with chronic pain. This system was then tested in a study in over 500 ...
The purpose of the study is to assess the performance and safe use of the vaginal ring applicator as an optional aid for insertion of a placebo vaginal ring into the vagina in healthy wome...
Microscopy using an electron beam, instead of light, to visualize the sample, thereby allowing much greater magnification. The interactions of ELECTRONS with specimens are used to provide information about the fine structure of that specimen. In TRANSMISSION ELECTRON MICROSCOPY the reactions of the electrons that are transmitted through the specimen are imaged. In SCANNING ELECTRON MICROSCOPY an electron beam falls at a non-normal angle on the specimen and the image is derived from the reactions occurring above the plane of the specimen.
A type of TRANSMISSION ELECTRON MICROSCOPY in which the object is examined directly by an extremely narrow electron beam scanning the specimen point-by-point and using the reactions of the electrons that are transmitted through the specimen to create the image. It should not be confused with SCANNING ELECTRON MICROSCOPY.
Identification and measurement of ELEMENTS and their location based on the fact that X-RAYS emitted by an element excited by an electron beam have a wavelength characteristic of that element and an intensity related to its concentration. It is performed with an electron microscope fitted with an x-ray spectrometer, in scanning or transmission mode.
A group of two-ring heterocyclic compounds consisting of a benzene ring fused to a diazepine ring.
A technique for analysis of the chemical composition of molecules. A substance is bombarded with monochromatic ELECTRONS. Some of the electrons passing through the specimen will lose energy when they ionize inner shell electrons of the atoms in the specimen. The energy loss is element dependent. Analysis of the energy loss spectrum reveals the elemental composition of a specimen. ENERGY-FILTERED TRANSMISSION ELECTRON MICROSCOPY is a type of electron energy loss spectroscopy carried out in electron microscopes specially outfitted to analyze the spectrum of electron energy loss.