Zobrazeno 1 - 10
of 1 354
pro vyhledávání: '"Hoffmann, Roald"'
Publikováno v:
Phys. Rev. Materials 3, 044203 (2019)
Topological semimetals generally contain heavy elements. Using density-functional theoretic calculations, we predict that three dense lithium polymorphs in the pressure range 200--360 GPa display nontrivial semimetallic electronic structure. Specific
Externí odkaz:
http://arxiv.org/abs/1901.04130
Publikováno v:
Chemical Reviews Article ASAP, Publication Date (Web): April 9, 2018
In this paper, we explore quantum interference in molecular conductance from the point of view of graph theory and walks on lattices. By virtue of the Cayley-Hamilton theorem for characteristic polynomials and the Coulson-Rushbrooke pairing theorem f
Externí odkaz:
http://arxiv.org/abs/1804.09234
Autor:
Zhu, Li, Liu, Hanyu, Somayazulu, Maddury, Meng, Yue, Guńka, Piotr A., Shiell, Thomas B., Kenney-Benson, Curtis, Chariton, Stella, Prakapenka, Vitali B., Yoon, Hyeok, Horn, Jarryd A., Paglione, Johnpierre, Hoffmann, Roald, Cohen, R. E., Strobel, Timothy A.
We predict superconductivity for the carbon-boron clathrate SrB3C3 at 27-43 K for Coulomb pseudopotential (mu*) values between 0.17 and 0.10 using first-principles calculations with conventional electron-phonon coupling. Electrical transport measurem
Externí odkaz:
http://arxiv.org/abs/1708.03483
Publikováno v:
Journal of Mathematical Physics 58, 033505 (2017)
Applications of the H\"uckel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix representation of this model is isomorphic to an unoriented vertex adjacency matrix of a bipartite graph, which is also the Lap
Externí odkaz:
http://arxiv.org/abs/1407.4780
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