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pro vyhledávání: '"Partial density of states"'
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Publikováno v:
J.Photochem.Photobiol.A.: 348 (2017) 305-325
Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ray crystal geometries and with experimental absorption spectra measured
Externí odkaz:
http://arxiv.org/abs/1707.03665
Autor:
Satpathi, Urbashi, Deo, P. Singha
Since the experimental observation of quantum mechanical scattering phase shift in mesoscopic systems, several aspects of it has not yet been understood. The experimental observations has also accentuated many theoretical problems related to Friedel
Externí odkaz:
http://arxiv.org/abs/1506.06954
Autor:
Satpathi, Urbashi, Singha Deo, P.
Publikováno v:
In Annals of Physics December 2016 375:491-514
We study the distributions functions for global partial density of states (GPDOS) in quasi-one-dimensional (Q1D) disordered wires as a function of disorder parameter from metal to insulator. We consider two different models for disordered Q1D wire: a
Externí odkaz:
http://arxiv.org/abs/cond-mat/0610629
Publikováno v:
In Journal of Alloys and Compounds 15 January 2015 619:812-819
Publikováno v:
J. Phys.: Condens. Matter 19, 036212 (2007)
The transition metal K-edge x-ray absorption near edge structure (XANES) studies have been carried on LaBO3 (B=Mn, Fe, Co, Ni), La2CuO4 and SrMnO3 compounds. The theoretical spectra have been calculated using transition metal (TM) 4p density of state
Externí odkaz:
http://arxiv.org/abs/cond-mat/0612237
To apply the scattering approach for the problem of AC transport through coherent quantum conductors, various partial density of states must be evaluated. If the global partial density of states (GPDOS) is calculated externally using the energy deriv
Externí odkaz:
http://arxiv.org/abs/cond-mat/9703156
Autor:
P. Singha Deo
Publikováno v:
Mesoscopic Route to Time Travel ISBN: 9789811644641
We first give an introduction to Burgers circuit (BC). We then show that phase of the wavefunction in different model systems can be understood in general using BC. This includes the new discontinuous phase discussed in Chap. 2. Then the three prong
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::64f3260e745509d3097b90903564a995
https://doi.org/10.1007/978-981-16-4465-8_5
https://doi.org/10.1007/978-981-16-4465-8_5
Autor:
Ohnuma, Akira, Takahashi, Koki, Tsunoyama, Hironori, Inoue, Tomoya, Zhao, Pei, Velloth, Archana, Ehara, Masahiro, Ichikuni, Nobuyuki, Tabuchi, Masao, Nakajima, Atsushi
Publikováno v:
Catalysis Science & Technology; 2022, Vol. 12 Issue: 5 p1400-1407, 8p