In He-like systems the decay of the 1s2s S0 excited state to the 1s S0 ground state is not allowed. This excited state can only decay to the ground state via the emission of two photons. The spectral shape of the emitted continuum is determined by the complete structure of the atomic system as all bound and continuum P states contribute to the 2E1 decay. For very heavy atomic systems the P stat...

It has recently been shown that in proteins the atomic mean-square displacement (or B-factor) can be related to the number of the neighboring atoms (or protein contact number), and that this relationship allows one to compute the B-factor profiles directly from protein contact number. This method, referred to as the protein contact model, is appealing, since it requires neither trajectory integ...

1 Aix Marseille Univ, CNRS, CINaM, Marseille, France, 2 Aix Marseille Univ, CNRS, Centrale Marseille, Institut Fresnel, Marseille, France, 3 Quantum Information Science, Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN, United States, 4 BioEnergy Science Center (BESC), Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, United States,...

for obtaining reservoir petrophysical properties, for example porosity, non-destructive methods such as x-ray computed tomography, ct, seems to be precise and accurate. porosity is deducted from the ct image with a single scan via different techniques, such as pore space detection by image segmentation techniques then correlation with porosity. more than one hundred samples with carbonate litho...

background: nickel is an important constituents widely used in different industrial processes for production of various syn¬thetic materials. for evaluation of workers’ exposure to trace toxic metal of ni (ii), environmental and biological monitor¬ing are essential processes, in which, preparation of samples is one of the most time-consuming and error-prone as¬pects prior to analysis. methods: ...

ABSTRACT: PC-ATOMIC is a PC interface for the ATOMIC LAN. PCATOMIC is implemented as a VL-Bus (VESA) short-form card for Intel i486 PCs, providing an interface for low-cost workstations to a 640 Mbps LAN. This document describes the PC-ATOMIC interface, its design, capabilities, and performance. The board design is public, and a small number of boards are available as government-furnished equip...

Atomic Structure Prediction In article number 2208220, Bo B. Iversen, Bjørk Hammer, Wilke Dononelli, and co-workers present a new machine-learning-based approach, which combines pair distribution functions with density functional theory, for solving atomic structures of nanomaterials.

Here we present the program for the transformation of the expansions of the atomic state functions from LSto jj-coupled bases. The program is a part of the coupling optimization package Laris and allows to transform the multiconfigurational expansions with the arbitrary number of open shells (including f -electrons) and to identify atomic levels and classify the atomic spectra by means of inter...

The interaction between DMSO and alkaline earth perchlorates in anhydrous acetonitrile was investigated by FT-IR spectroscopy. A quantitative study was performed to determine the average number of bonded DMSO molecules using v (SO) and v (C-S) vibrations. Changes in coordination numbers were observed both with increasing atomic numbers and the solvent composition. None of the investigated...

This paper gives an overview of the Möbius framework, and gives a formal specification for defining atomic models within the framework. The framework is designed to be capable of incorporating multiple modeling formalisms, including atomic models (e.g, SPNs), composition formalisms (e.g., Replicate/Join), measure specification formalisms, connection formalisms, and solvers. We focus on atomic m...