نتایج جستجو برای: روش lda u

تعداد نتایج: 538265  

2014
Singaravelan Shanmugasundaram Murugan Dhanushkodi

Image Retrieval is very one of the biggest task in the recent years. It is widely used in many real time databases to retrieve related images in various fields like medicine, military, online shopping etc. This paper offers with using radon transform followed by PCA and LDA techniques for image retrieval is called as Combined Radon Space Features Set (CRSFS). Caltech 101 database image sets use...

پایان نامه :دانشگاه تربیت معلم - سبزوار - دانشکده علوم پایه 1391

در این پایان نامه خواص الکترونیکی، فونونی و ترموالکتریکی ترکیبات (r=gd, tb, dy)rmno3 با استفاده از محاسبات اصول اولیه مطالعه شده است. خواص الکترونیکی شامل: ساختار نواری، گاف انرژی و چگالی حالت ها با تقریب های gga،lda+u و gga+uدر چهارچوب نظریه تابعی چگالی (dft) انجام شده است. با مقایسه مقادیر گاف نواری اسپین بالا و پایین به این نتیجه می-رسیم که این ترکیبات در حالت اسپین بالا با داشتن گاف نواری ک...

Journal: :Physical review letters 2005
K-W Lee J Kunes P Novak W E Pickett

Charge disproportionation (CD) and spin differentiation in Na(1/2)CoO2 are studied using the correlated band local-density approximation + Hubbard U (LDA+U) approach. The simultaneous CD and gap opening seen previously is followed in detail through a first-order charge disproportionation transition 2Co(3.5+)-->Co3++Co4+. Disproportionation in the Co a(g) orbital results in half of the ions (Co3...

2009
Andrei Malashevich

We study the polarization induced via spin-orbit interaction by a magnetic cycloidal order in orthorhombic TbMnO3 using first-principle methods. The case of magnetic spiral lying in the bc plane is analyzed, in which the pure electronic contribution to the polarization is shown to be small. We focus our attention on the lattice-mediated contribution, and study it’s dependence on the Coulomb int...

Journal: :Physical review letters 2004
Peihong Zhang Weidong Luo Marvin L Cohen Steven G Louie

Doping evolution of the Fermi surface topology of Na(x)CoO(2) is studied systematically. Both local density approximation (LDA) and local spin density approximation (LSDA) predict a large Fermi surface as well as small hole pockets for doping levels x approximately 0.5. In contrast, the hole pockets are completely absent for all doping levels within LSDA+U. More importantly, we find no violatio...

Journal: :Food Chemistry 2021

The measurement and analysis of fifty-two elements by quadrupole inductively coupled plasma mass spectrometry (Q-ICP-MS) direct mercury were applied to origin discrimination Italian traditional cuttlefish (Chioggia, Venice lagoon) from Mediterranean Atlantic samples. A total 68 specimens analyzed in triplicates generate 204 spectra profiles which statistically processed different chemometric te...

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