Results 11 to 20 of about 75 (42)

The electron shuffle: Cerium influences samarium 4f orbital occupancy in heteronuclear Ce-Sm oxide clusters. [PDF]

J Chem Phys, 2017
Kafader JO, Topolski JE, Marrero-Colon V, Iyengar SS, Jarrold CC.   +4 more
europepmc   +1 more source

A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules. [PDF]

J Chem Phys, 2014
Skouteris D, Barone V.
europepmc   +1 more source

Helioseismic inference of the solar radiative opacity. [PDF]

Nat Commun
Buldgen G, Pain JC, Cossé P, Blancard C, Gilleron F, Pradhan AK, Fontes CJ, Colgan J, Noels A, Christensen-Dalsgaard J, Deal M, Ayukov SV, Baturin VA, Oreshina AV, Scuflaire R, Pinçon C, Lebreton Y, Corbard T, Eggenberger P, Hakel P, Kilcrease DP.   +20 more
europepmc   +1 more source

Hybrid calculation of hot plasma radiative properties at local thermodynamic equilibrium involving energy levels, configurations and superconfigurations.

, 2012
In hot dense plasmas, most energy transfer is due to radiation. Therefore, the effects of opacity on structure and evolution of plasmas are quite important. Normally, detailed line by line calculation of plasma opacities give the most precise results, but sometimes requires such an amount of resources it is not tractable.
openaire   +1 more source

A superconfiguration code based on the local density approximation

Journal of Quantitative Spectroscopy and Radiative Transfer, 2000
Abstract The local density approximation (LDA) has been applied in a version of the SCO code based on the superconfiguration method. The self-consistent-field LDA equations for each superconfiguration are obtained by minimization of the free-energy functional with an appropriate number of constraints which guarantee the required populations of ...
A. Grimaldi, F. Perrot, Thomas Blenski
openaire   +3 more sources

On the superconfiguration approach to model NLTE plasma emission

Journal of Quantitative Spectroscopy and Radiative Transfer, 2001
Abstract We discuss some aspects of the superconfiguration approach as applied to NLTE problems. The framework of this study is the AVERROES/TRANSPEC model developed for simulating non-LTE spectra. The model acts as a postprocessor to plasma hydrodynamics simulations.
O. Peyrusse
openaire   +3 more sources

Superconfiguration widths and their effects on atomic models

High Energy Density Physics, 2011
Abstract Superconfigurations are an important component of many of the collisional-radiative atomic models that are used to predict the properties of atoms and ions in non-local thermodynamic equilibrium (non-LTE) plasmas. In this paper, we investigate the statistical properties of superconfigurations and derive expressions for their approximate ...
Jacques Bauche, Claire Bauche-Arnoult, Stephanie Hansen   +2 more
openaire   +3 more sources

The temperature law for superconfigurations in non-LTE plasmas

Journal of Quantitative Spectroscopy and Radiative Transfer, 2001
Abstract It is shown that, in non-LTE hot plasmas, the atomic processes tend to establish a temperature law, i.e., a decreasing-exponential law vs. energy, for the total atomic populations of the configurations within each superconfiguration (SC). The SCs are defined by the occupancy numbers of atomic shells.
C. Bauche-Arnoult, J. Bauche
openaire   +3 more sources

Stable method for the calculation of partition functions in the superconfiguration approach

Physical Review E, 2004
A general method for the calculation of the partition function of a canonical ensemble of noninteracting bound electrons is presented. It consists in a doubly recursive procedure with respect to the number of electrons and the number of orbitals. Contrary to existing approaches, this recursion relation contains no alternate summation of positive and ...
Franck, Gilleron, Jean-Christophe, Pain
openaire   +3 more sources