Electronic structure

Known as: Electronic structures 
In quantum chemistry, ( Science ) , electronic structure is the state of motion of electrons in an electrostatic field created by stationary nuclei… (More)
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1936-2017
020040019362016

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Highly Cited
2017
Highly Cited
2017
The optical constants and their temperature derivatives have been determined for β′−NiAl from absorption and thermoreflectance… (More)
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Highly Cited
2009
Highly Cited
2009
Amorphous oxide semiconductors (AOSs) are expected as new channel materials in thin-film transistors (TFTs) for large-area and/or… (More)
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Highly Cited
2007
Highly Cited
2007
Recent developments in advanced quantum chemistry and quantum chemistry interfaced with model potentials are discussed, with the… (More)
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Highly Cited
2005
Highly Cited
2005
We have investigated the electronic structure of MoSi 2, Mo5Si3, Mo3Si, and MosSi1−xAl xd2 alloys at a range of x values using a… (More)
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Highly Cited
2000
Highly Cited
2000
Molden is a software package for pre- and postprocessing of computational chemistry program data. Interfacing to the ab initio… (More)
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Highly Cited
1999
Highly Cited
1999
Methods exhibiting linear scaling with respect to the size of the system, the so-called O(N) methods, are an essential tool for… (More)
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Highly Cited
1999
Highly Cited
1999
The narrowest feature on present-day integrated circuits is the gate oxide—the thin dielectric layer that forms the basis of… (More)
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Highly Cited
1997
Highly Cited
1997
A generalization of the local density approximation (LDA) method for systems with strong Coulomb correlations is described which… (More)
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Highly Cited
1996
Highly Cited
1996
Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density… (More)
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Highly Cited
1993
Highly Cited
1993
Michael W. Schmidt,' Kim K. Baldridge,'* Jerry A. Boatz,'t Steven T. Elbert,' Mark S. Gordon,'$ Jan H. Jensen,' Shiro Koseki… (More)
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