نتایج جستجو برای: density function theory

تعداد نتایج: 2204479  

2010
Petru T. NEGRARU

The Nevada Seismic Array (NVAR) is a small-aperture seismic array designed for monitoring an eventual nuclear test ban treaty. In spite of the 4 km aperture, large amplitude variations are recorded due to the complicated local geology. This study takes advantage of the collocated infrasound and seismic sensors to discuss the use of air-to-ground coupled waves to characterize the shallow geologi...

Journal: :international journal of nano dimension 0
j. jahanbin sardroodi molecular simulation lab., azarbaijan shahid madani university, tabriz, iran. s. afshari molecular simulation lab., azarbaijan shahid madani university, tabriz, iran. a. r. rastkar ebrahimzadeh molecular simulation lab., azarbaijan shahid madani university, tabriz, iran. m. abbasi molecular simulation lab., azarbaijan shahid madani university, tabriz, iran.

the quantum transport computations have been carried on four different width of zigzag graphene using a nonequilibrium green’s function method combined with density functional theory. the computed properties are included transmittance spectrum, electrical current and quantum conductance at the 0.3v as bias voltage.  the considered systems were composed from one-layer graphene sheets differing w...

Journal: :Computation 2016
Bartolomeo Civalleri Roberto Dovesi Pascal Pernot Davide Presti Andreas Savin

Benchmark calculations provide a large amount of information that can be very useful in assessing the performance of density functional approximations, and for choosing the one to use. In order to condense the information some indicators are provided. However, these indicators might be insufficient and a more careful analysis is needed, as shown by some examples from an existing data set for cu...

Journal: :Progress of Theoretical Physics 2005

2002
Paul Hessler Neepa T. Maitra Kieron Burke

The exact time-dependent correlation energy in time-dependent density-functional theory is shown to sometimes become positive, which is impossible with most present TDDFT approximations. Both the correlation potential and energy can be strongly nonlocal in time. A new inequality is derived for the time-dependent exchange-correlation energy. The correlation energy appears to scale to a constant ...

Journal: :مهندسی برق و الکترونیک ایران 0
behrooz zaker mohammad mohammadi

this paper presents a probabilistic optimal power flow (popf) algorithm considering different uncertainties in a smart grid. different uncertainties such as variation of nodal load, change in system configuration, measuring errors, forecasting errors, and etc. can be considered in the proposed algorithm. by increasing the penetration of the renewable energies in power systems, it is more essent...

Journal: :int. journal of mining & geo-engineering 2015
farnoosh basaligheh ali keyhani

one of the conventional methods for temporary support of tunnels is to use steel sets with shotcrete. the nature of a temporary support system demands a quick installation of its structures. as a result, the spacing between steel sets is not a fixed amount and it can be considered as a random variable. hence, in the reliability analysis of these types of structures, the selection of an appropri...

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