نتایج جستجو برای: lapw

تعداد نتایج: 236  

2016
Andrew P. Holmes Ting Y. Yu Samantha Tull Fahima Syeda Stefan M. Kuhlmann Sian-Marie O’Brien Pushpa Patel Keith L. Brain Davor Pavlovic Nigel A. Brown Larissa Fabritz Paulus Kirchhof

BACKGROUND The left atrial posterior wall (LAPW) is potentially an important area for the development and maintenance of atrial fibrillation. We assessed whether there are regional electrical differences throughout the murine left atrial myocardium that could underlie regional differences in arrhythmia susceptibility. METHODS We used high-resolution optical mapping and sharp microelectrode re...

2010
D. A. Papaconstantopoulos

First-principles electronic structure calculations have been very useful in understanding some of the properties of the new iron-based superconductors. Further explorations of the role of the individual atomic orbitals in explaining various aspects of research in these materials, including experimental work, would benefit from the availability of a tight-binding(TB) Hamiltonian that reproduces ...

Journal: :Human pathology 2005
Domenico Corradi Sergio Callegari Stefano Benussi Roberta Maestri Paolo Pastori Simona Nascimbene Silvia Bosio Enrica Dorigo Chiara Grassani Raffaella Rusconi Maria Vittoria Vettori Rossella Alinovi Ettore Astorri Carlo Pappone Ottavio Alfieri

It has been found that the pulmonary veins and adjacent left atrial posterior wall (LAPW) are deeply involved in both the initiation and maintenance of atrial fibrillation (AF), and the identification of these high-risk sites has aroused great interest in investigating their histopathologic substrate. We used light and conventional electron microscopy to evaluate the differential myocyte and in...

Journal: :Circulation journal : official journal of the Japanese Circulation Society 2009
Koji Miyamoto Takeshi Tsuchiya Keiichi Ashikaga Sumito Narita Shin-Ichi Ando Kiyoshi Hayashida Yoshito Tanioka Naohiko Takahashi

BACKGROUND Recognizing the relative location of the esophagus to the left atrial posterior wall (LAPW) is required to avoid esophageal injury during atrial fibrillation ablation. METHODS AND RESULTS The 24 patients undergoing circumferential pulmonary vein isolation (CPVI) each had the geometry of their left atrium (LA) and esophagus constructed by a noncontact mapping system with EnSite vers...

2011

In this project electrical and optical properties of BaZrO3 have been accomplished through the full-potential linear augmented plane wave (FP-LAPW) by applying Wein2k software. In this study band structure, density of state, gap energy, refractive index and optical conduction have been studied. The results of calculations show that BaZrO3 is an insulator with an indirect gap in which 3.2 ev and...

2003
Rajendra R. Zope Y. Mishin

Semiempirical interatomic potentials have been developed for Al, a-Ti, and g-TiAl within the embedded atom method ~EAM! formalism by fitting to a large database of experimental as well as ab initio data. The ab initio calculations were performed by the linearized augmented plane wave ~LAPW! method within the density functional theory to obtain the equations of state for a number of crystal stru...

2000
Max Petersen Frank Wagner Matthias Scheffler Karlheinz Schwarz

The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces. The implementation of atomic forces has greatly increased its applicability, but it is still generally believed that FP-LAPW calculations require substantial higher computational effort compared to th...

2005
Y. Mishin

First-principles calculations of the energy of various crystal structures of Fe, Ni and ordered Fe–Ni compounds with different stoichiometries have been performed by the linearized augmented plane wave (LAPW) method in the generalized gradient approximation. The most stable compounds are L12–Ni3Fe, L10–FeNi, C11f–Ni2Fe and C11f–Fe2Ni. The L12–Ni3Fe compound has the largest negative formation en...

1999
S. Koval

An ab-initio Linear Augmented Plane-Wave (LAPW) calculation of the zonecentered phonon frequencies of SnO has been performed. Eg symmetry has been ascribed to the mode observed at 113 cm in Raman measurements, discarding a previous B1g assignement. The other phonon modes measured by Raman spectroscopy are also well reproduced. A new shell-model has also been developed, that gives good agreement...

Journal: :Physical review. B, Condensed matter 1996
Cho Scheffler

The ground-state properties of Fe, Co, and Ni are studied with the linearaugmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant, bulk modulus, and magnetic moment with both the local-spin-density approximation (LSDA) and the generalized gradient approximation (GGA) are in good agreement with those of all-electron calculations, respectively. The ...

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