368,817 research outputs found
SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation
No full textWe present here SaX (Self-energies and eXcitations), a plane-waves package aimed at electronic-structure and optical-properties calculations in the GW framework, namely using the GW approximation for quasiparticle properties and the Bethe-Salpeter equation for the excitonic effects. The code is mostly written in FORTRAN90 in a modern style, with extensive use of data abstraction (i.e. objects). Sax employs state of the art techniques and can treat large systems. The package is released with an open source license and can be also download from http://www.sax-project.org/
Martin L. Davey portrait
No full textPortrait of Governor Martin L. Davey who served two, two year terms as Governor from 1935-1939
Marie Wing telegram to Martin L. Davey, December 31, 1934
No full textDated December 31, 1934, this is a telegram from Marie Wing to Martin L. Davey, in which she personally welcomes him to his new position as governor of Ohio and expresses her high hopes for his service to the state. The telegram is made for the Christmas season with "Holiday Greetings" at the top and featuring a candle with holly on the left and the three magi, or wise men, traveling to Bethlehem, on the right.
Martin L. Davey, Ohio's 53rd governor, was born on July 25, 1884, in Kent, Ohio, where his father, John Davey, founded the Davey Tree Expert Company which provides tree, lawn, and other plant care. Davey attended Kent High School, and upon graduation worked for the Oliver Typewriter Company in Cleveland, Ohio. Later, he attended Oberlin College, but decided to help his father found the Davey Tree Expert Company. He served as mayor of Kent from 1913-1918 and served in the United States House of Representatives from 1918-1921 and 1923-1929. In 1934, he was elected governor, after having lost the race previously in 1928 to republican Myers Y. Cooper. As governor, Davey passed the School Foundation Bill and restructured Ohio's Relief Administration
QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS
No full textWe present QMMMW, a new program aimed at performing Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics. The package operates as a wrapper that patches PWscf code included in the QUANTUM ESPRESSO distribution and LAMMPS Molecular Dynamics Simulator. It is designed with a paradigm based on three guidelines: (i) minimal amount of modifications on the parent codes, (ii) flexibility and computational efficiency of the communication layer and (iii) accuracy of the Hamiltonian describing the interaction between the QM and MM subsystems. These three features are seldom present simultaneously in other implementations of QMMM. The QMMMW project is hosted by qe-forge at (http://qe-forge.org/gf/project/qmmmw/)
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes
No full text09.08.12 meb Author version. Publisher allows this to be adde
Orville Wright at Glenn L. Martin Company plant
No full textOrville Wright poses with Hartson and Milburn in front of the main entrance to the Glenn L. Martin Company factory during Orville\u27s visit to the factory. This photograph is attributed to Glenn L. Martin Company, Baltimore, Maryland.https://corescholar.libraries.wright.edu/special_ms1_photographs/2857/thumbnail.jp
Unraveling effects of disorder on the electronic structure of SiO(2) from first principles
No full textWe present a first-principles systematic study of the electronic structure of SiO(2) including the crystalline polymorphs alpha quartz and beta cristobalite, and different types of disorder leading to the amorphous phase. We start from calculations within density functional theory and proceed to more sophisticated quasiparticle calculations according to the GW scheme. Our results show that different origins of disorder have also different impact on atomic and electronic-density fluctuations, which affect the electronic structure and, in particular, the size of the mobility gap in each case.RTN EU[HPRN-CT-2002-00317]FIRB-MIUR Italy-Canada[RBIN06JB4C]FAPESPCNP
Letter from Alvin L. Martin to Paul B. Hendrickson
No full textLetter and transcript from Alvin L. Martin to Paul B. Hendrickson, with envelopeTranscript created by James and Betty Gill
Martin L. Webb, 1958
No full textBlack-and-white photographic portrait of Martin L. Webb, professor of electrical engineering at Norwich University, in October 1958
SiO(2) in density functional theory and beyond
No full textWe present the first-principle electronic structure calculation on an amorphous material including many-body corrections within the GW approximation. We show that the inclusion of the local field effects in the exchange-correlation potential is crucial to quantitatively describe amorphous systems and defect states. We show that the mobility gap of amorphous silica coincides with the band gap of quartz, contrary to the traditional picture and the densityfunctional theory results. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinhei
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