Academic literature on the topic 'Solids electronic structure'
Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles
Consult the lists of relevant articles, books, theses, conference reports, and other scholarly sources on the topic 'Solids electronic structure.'
Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.
You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.
Journal articles on the topic "Solids electronic structure"
Schwarz, Karlheinz, Peter Blaha, and S. B. Trickey. "Electronic structure of solids with WIEN2k." Molecular Physics 108, no. 21-23 (November 10, 2010): 3147–66. http://dx.doi.org/10.1080/00268976.2010.506451.
Full textBurdett, Jeremy K. "Electronic Structure and Properties of Solids." Journal of Physical Chemistry 100, no. 31 (January 1996): 13263–74. http://dx.doi.org/10.1021/jp953650b.
Full textFulde, Peter. "Wavefunction-based electronic-structure calculations for solids." Nature Physics 12, no. 2 (February 2016): 106–7. http://dx.doi.org/10.1038/nphys3653.
Full textFreeman, A. J. "Structure and Electronic Properties of Complex Solids." Berichte der Bunsengesellschaft für physikalische Chemie 96, no. 11 (November 1992): 1512–18. http://dx.doi.org/10.1002/bbpc.19920961103.
Full textMazin, I. I. "A school on the electronic structure of solids." Uspekhi Fizicheskih Nauk 155, no. 8 (1988): 735–36. http://dx.doi.org/10.3367/ufnr.0155.198808o.0735.
Full textBurdett, Jeremy K., and Gordon J. Miller. "Polyhedral clusters in solids. Electronic structure of pentlandite." Journal of the American Chemical Society 109, no. 13 (June 1987): 4081–91. http://dx.doi.org/10.1021/ja00247a039.
Full textMazin, I. I. "A school on the electronic structure of solids." Soviet Physics Uspekhi 31, no. 8 (August 31, 1988): 783–84. http://dx.doi.org/10.1070/pu1988v031n08abeh004957.
Full textBryant, Garnett W., and W. Jaskolski. "Electronic structure of quantum-dot molecules and solids." Physica E: Low-dimensional Systems and Nanostructures 13, no. 2-4 (March 2002): 293–96. http://dx.doi.org/10.1016/s1386-9477(01)00540-9.
Full textVoit, J. "Electronic Structure of Solids with Competing Periodic Potentials." Science 290, no. 5491 (October 20, 2000): 501–3. http://dx.doi.org/10.1126/science.290.5491.501.
Full textPrince, Kevin. "Electronic and geometric structure of solids and surfaces." Synchrotron Radiation News 7, no. 6 (November 1994): 12. http://dx.doi.org/10.1080/08940889408261310.
Full textDissertations / Theses on the topic "Solids electronic structure"
Guo, G. Y. "Study of the electronic structures of layer-structure transition metal chalcogenides and their intercalation complexes." Thesis, University of Cambridge, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.233953.
Full textKortus, Jens. "Electronic structure, magnetic ordering and phonons in molecules and solids." Doctoral thesis, Technische Universitaet Bergakademie Freiberg Universitaetsbibliothek "Georgius Agricola", 2009. http://nbn-resolving.de/urn:nbn:de:swb:105-4440476.
Full textKortus, Jens. "Electronic structure, magnetic ordering and phonons in molecules and solids." Doctoral thesis, [S.l. : s.n.], 2003. http://deposit.ddb.de/cgi-bin/dokserv?idn=969764359.
Full textAllan, N. L. "Electronic structure of molecules and chemically bonded solids in momentum space." Thesis, University of Oxford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.371504.
Full textMcInnes, Duncan A. "A tight binding model in k-space : applications." Thesis, University of Oxford, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.303609.
Full textMagyari-Köpe, Blanka. "Structural stability of solids from first principles theory." Doctoral thesis, KTH, Physics, 2002. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3366.
Full textClement, Marjory Carolena. "In Pursuit of Local Correlation for Reduced-Scaling Electronic Structure Methods in Molecules and Periodic Solids." Diss., Virginia Tech, 2021. http://hdl.handle.net/10919/104588.
Full textDoctor of Philosophy
Increasingly, the study of chemistry is moving from the traditional wet lab to the realm of computers. The physical laws that govern the behavior of chemical systems, along with the corresponding mathematical expressions, have long been known. Rapid growth in computational technology has made solving these equations, at least in an approximate manner, relatively easy for a large number of molecular and solid systems. That the equations must be solved approximately is an unfortunate fact of life, stemming from the mathematical structure of the equations themselves, and much effort has been poured into developing better and better approximations, each trying to balance an acceptable level of accuracy loss with a realistic level of computational cost and complexity. But though there has been much progress in developing approximate computational chemistry methods, there is still great work to be done. textit{Many} chemical systems of real-world import (particularly biomolecules and potential pharmaceuticals) are simply too large to be treated with any methods that consistently deliver acceptable accuracy. As an example of the difficulties that come with trying to apply accurate computational methods to systems of interest, consider the seminal 2013 work of Riplinger and co-workers [Riplinger, et al. textit{J. Chem. Phys.} textbf{2013}, textit{139}, 134101]. In this paper, they present the results of a calculation performed on the protein crambin. The method used was DLPNO-CCSD(T), an approximation to the ``gold standard" computational method CCSD(T). The acronym DLPNO-CCSD(T) stands for ``domain-based local pair natural orbital coupled cluster with singles, doubles, and perturbative triples." In essence, this method exploits the fact that electron-electron interactions (``electron correlation") are a short-range phenomenon in order to represent the system in a mathematically more compact way. This focus on the locality of electron correlation is a crucial piece in the effort to bring down computational cost. When talking about computational cost, we will often talk about how the cost scales with the approximate system size $N$. In the case of CCSD(T), the cost scales as $N^{7}$. To see what this means, consider two chemical systems textit{A} and textit{B}. If system textit{B} is twice as large as system textit{A}, then the same calculation run on both systems will take $2^{7} = 128$ times longer on system textit{B} than on system textit{A}. The DLPNO-CCSD(T) method, on the other hand, scales linearly with the system size, provided the system is sufficiently large (we say that it is ``asymptotically linearly scaling"), and so, for our example systems textit{A} and textit{B}, the calculation run on system textit{B} should only take twice as long as the calculation run on system textit{A}. But despite the favorable scaling afforded by the DLPNO-CCSD(T) method, the time to solution is still prohibitive. In the case of crambin, a relatively small protein with 644 atoms, the calculation took a little over 30 days. Clearly, such timescales are unworkable for the field of biochemical research, where the focus is often on the interactions between multiple proteins or other large biomolecules and where many more data points are required. In the work that follows, we discuss in more detail the genesis of the high costs that are associated with highly accurate computational methods, as well as some of the approximation techniques that have already been employed, with an emphasis on local correlation techniques. We then build off this foundation to discuss our own work and how we have extended such approximation techniques in an attempt to further increase the possible accuracy to cost ratio. In particular, we discuss how iteratively-optimized pair natural orbitals (the PNOs of the DLPNO-CCSD(T) method) can provide a more accurate but also more compact mathematical representation of the system relative to static PNOs [Clement, et al. textit{J. Chem. Theory Comput.} textbf{2018}, textit{14} (9), 4581--4589]. Additionally, we turn our attention to the problem of periodic infinite crystalline systems, a class of materials less commonly studied in the field of computational chemistry, and discuss how the local correlation techniques that have already been applied with great success to molecular systems can potentially be applied in this domain as well [Clement, et al. textbf{2021}, textit{Submitted to J. Chem. Theory Comput.}].
Brandenburg, Jan Gerit [Verfasser]. "Development and Application of Electronic Structure Methods for Noncovalent Interactions in Organic Solids / Jan Gerit Brandenburg." Bonn : Universitäts- und Landesbibliothek Bonn, 2015. http://d-nb.info/119893350X/34.
Full textHunold, Oliver [Verfasser], Jochen M. [Akademischer Betreuer] Schneider, and Paul H. [Akademischer Betreuer] Mayrhofer. "Synthesis, electronic structure, elastic properties, and interfacial behavior of icosahedral boron-rich solids / Oliver Hunold ; Jochen Michael Schneider, Paul H. Mayrhofer." Aachen : Universitätsbibliothek der RWTH Aachen, 2017. http://d-nb.info/1162498196/34.
Full textSchmechel, Roland. "Einfluß von Strukturstörungen auf die optischen und elektronischen Eigenschaften von borreichen Festkörpern mit Ikosaederstruktur - Influence of structure defects on optical and electronic properties of icosahedral boron rich solids." Gerhard-Mercator-Universitaet Duisburg, 2001. http://www.ub.uni-duisburg.de/ETD-db/theses/available/duett-06012001-114802/.
Full textBooks on the topic "Solids electronic structure"
Atomic and electronic structure of solids. Cambridge, UK: Cambridge University Press, 2003.
Find full textKaxiras, Efthimios. Atomic and electronic structure of solids. Cambridge, UK: Cambridge University Press, 2003.
Find full textThe electronic structure and chemistry of solids. Oxford [Oxfordshire]: Oxford University Press, 1987.
Find full textElectronic structure of materials. Oxford: Clarendon Press, 1993.
Find full textBruce, Harmon, and Yaresko Alexander, eds. Electronic structure and magneto-optical properties of solids. Dordrecht: Kluwer Academic Publishers, 2004.
Find full textAntonov, Victor. Electronic structure and magneto-optical properties of solids. Dordrecht: Kluwer Academic Publishers, 2004.
Find full textBrazilian School on Electronic Structure (2nd 1989 Olinda, Brazil). Electronic structure of atoms, molecules and solids : Brazilian School on Electronic Structure II. Edited by Canuto Sylvio, Castro José D'Albuquerque e, and Paixão Fernando J. Singapore: World Scientific, 1990.
Find full textDreyssé, Hugues, ed. Electronic Structure and Physical Properies of Solids. Berlin, Heidelberg: Springer Berlin Heidelberg, 2000. http://dx.doi.org/10.1007/3-540-46437-9.
Full textI, Likhtenshteĭn A., and Postnikov A. V, eds. Magnetism and the electronic structure of crystals. Berlin: Springer-Verlag, 1992.
Find full textMarie-Liesse, Doublet, and Iung Christophe, eds. Orbital approach to the electronic structure of solids. Oxford: Oxford University Press, 2012.
Find full textBook chapters on the topic "Solids electronic structure"
Warnes, L. A. A. "The Structure of Solids." In Electronic Materials, 1–31. London: Macmillan Education UK, 1990. http://dx.doi.org/10.1007/978-1-349-21045-9_1.
Full textWarnes, L. A. A. "The Structure of Solids." In Electronic Materials, 1–31. Boston, MA: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4615-6893-3_1.
Full textWills, John M., Mebarek Alouani, Per Andersson, Anna Delin, Olle Eriksson, and Oleksiy Grechnyev. "Chemical Bonding of Solids." In Full-Potential Electronic Structure Method, 111–31. Berlin, Heidelberg: Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-642-15144-6_11.
Full textBovensiepen, Uwe, Silke Biermann, and Luca Perfetti. "The Electronic Structure of Solids." In Dynamics at Solid State Surfaces and Interfaces, 1–25. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2012. http://dx.doi.org/10.1002/9783527646463.ch1.
Full textHimpsel, Franz J. "Determination of the Electronic Structure of Solids." In Electronic Materials, 41–56. Berlin, Heidelberg: Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-84359-4_4.
Full textLodder, A., and J. P. Dekker. "Electromigration and Electronic Structure." In Properties of Complex Inorganic Solids 2, 49–60. Boston, MA: Springer US, 2000. http://dx.doi.org/10.1007/978-1-4615-1205-9_5.
Full textEconomou, E. N. "Electronic Structure of α-SiH." In Hydrogen in Disordered and Amorphous Solids, 15–19. Boston, MA: Springer US, 1986. http://dx.doi.org/10.1007/978-1-4899-2025-6_2.
Full textGalsin, Joginder Singh. "Electronic Structure of Pure Metallic Solids." In Impurity Scattering in Metallic Alloys, 61–92. Boston, MA: Springer US, 2002. http://dx.doi.org/10.1007/978-1-4615-1241-7_4.
Full textFranzen, Hugo Friedrich. "The Electronic Structure of Crystalline Solids." In Physical Chemistry of Inorganic Crystalline Solids, 135–53. Berlin, Heidelberg: Springer Berlin Heidelberg, 1986. http://dx.doi.org/10.1007/978-3-642-71237-1_10.
Full textEkman, Mathias, and Vidvuds Ozoliņš. "Electronic Structure and Bonding in Ti5Si3." In Properties of Complex Inorganic Solids, 191–95. Boston, MA: Springer US, 1997. http://dx.doi.org/10.1007/978-1-4615-5943-6_25.
Full textConference papers on the topic "Solids electronic structure"
Canuto, Sylvia, José D' Albuquerque e Castro, and Fernando J. Paixão. "Electronic Structure of Atoms, Molecules and Solids." In II Brazilian School on Electronic Structure. WORLD SCIENTIFIC, 1990. http://dx.doi.org/10.1142/9789814540780.
Full textSwitendick, Alfred C. "Electronic structure and charge density of zirconium diboride." In Boron-rich solids. AIP, 1991. http://dx.doi.org/10.1063/1.40785.
Full textNadykto, B. A. "Electronic structure of elements and compounds and electronic phases of solids." In Plutonium futures-The science (Topical conference on Plutonium and actinides). AIP, 2000. http://dx.doi.org/10.1063/1.1292352.
Full textAhmed, Rashid, Maqsood Ahmed, M. A. Saeed, and Fazal‐e‐Aleem. "Computational Methods; Tool for Electronic Structure Analysis of Solids." In MODERN TRENDS IN PHYSICS RESEARCH: First International Conference on Modern Trends in Physics Research; MTPR-04. American Institute of Physics, 2005. http://dx.doi.org/10.1063/1.1896504.
Full textFranz, R., and H. Werheit. "Influence of the Jahn-Teller effect on the electronic band structure of boron-rich solids containing B12 icosahedra." In Boron-rich solids. AIP, 1991. http://dx.doi.org/10.1063/1.40840.
Full textMŁYNARSKI, P., D. BALDOMIR, M. VALLADARES, M. IGLESIAS, D. SUÁREZ-de-LIS, and M. PEREIRO. "ELECTRONIC STRUCTURE OF MIXED COPPER-COBALT CLUSTERS: NONLOCAL DENSITY FUNCTIONAL STUDY." In Proceedings of the Fifth International Workshop on Non-Crystalline Solids. WORLD SCIENTIFIC, 1998. http://dx.doi.org/10.1142/9789814447225_0031.
Full textRICHTER, M., K. KOEPERNIK, and H. ESCHRIG. "FULL-POTENTIAL LOCAL-ORBITAL APPROACH TO THE ELECTRONIC STRUCTURE OF SOLIDS AND MOLECULES." In 43rd Karpacz Winter School of Theoretical Physics. WORLD SCIENTIFIC, 2008. http://dx.doi.org/10.1142/9789812709455_0009.
Full textKhon, Yury A., Petr P. Kaminskii, and Evgeniya A. Moldovanova. "The effect of the electronic subsystem on the deformation and stress localization in the surface layer of solids." In ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2016: Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016. Author(s), 2016. http://dx.doi.org/10.1063/1.4966379.
Full textRettig, L., R. Cortes, H. A. Dürr, J. Fink, U. Bovensiepen, and M. Wolf. "Transient Electronic Structure of Solids and Surfaces studied with Time- and Angle-Resolved Photoemission." In International Conference on Ultrafast Phenomena. Washington, D.C.: OSA, 2010. http://dx.doi.org/10.1364/up.2010.fa1.
Full textGomez-Campos, Francisco M., Erik S. Skibinsky-Gitlin, S. Rodriguez-Bolivar, Marco Califano, Panagiotis Rodosthenous, Juan A. Lopez-Villanueva, and Juan E. Carceller. "Influence of dimensionality and stoichiometry in the electronic structure of InAs quantum dot solids." In 2021 13th Spanish Conference on Electron Devices (CDE). IEEE, 2021. http://dx.doi.org/10.1109/cde52135.2021.9455730.
Full textReports on the topic "Solids electronic structure"
Smith, Kevin E. Understanding and Controlling Conductivity Transitions in Correlated Solids: Spectroscopic Studies of Electronic Structure in Vanadates (Final Report). Office of Scientific and Technical Information (OSTI), March 2019. http://dx.doi.org/10.2172/1498734.
Full textGregori, G., S. H. Glenzer, F. J. Forest, S. Kuhlbrodt, R. Redmer, G. Faussurier, C. Blancard, P. Renaudin, and O. L. Landen. Investigation of the Electronic Structure of Solid Density Plasmas by X-Ray Scattering. Office of Scientific and Technical Information (OSTI), May 2003. http://dx.doi.org/10.2172/15005133.
Full textChelikowsky, J. R. Theory of the electronic and structural properties of solid state oxides. Office of Scientific and Technical Information (OSTI), January 1990. http://dx.doi.org/10.2172/6564106.
Full textChelikowsky, J. R. Theory of the electronic and structural properties of solid state oxides. Annual technical report 1993. Office of Scientific and Technical Information (OSTI), June 1993. http://dx.doi.org/10.2172/10162151.
Full textHaddon, Robert C. Final Report for DOE Grant 97-00, Solid state electronic structure and properties of neutral carbon-based radicals. Office of Scientific and Technical Information (OSTI), November 2001. http://dx.doi.org/10.2172/805758.
Full textBarbara, Paul F. Ultrafast Near-Field Scanning Optical Microscopy (NSOM) of Emerging Display Technology Media: Solid State Electronic Structure and Dynamics,. Fort Belvoir, VA: Defense Technical Information Center, May 1995. http://dx.doi.org/10.21236/ada294879.
Full textChelikowsky, J. R. Theory of the electronic and structural properties of solid state oxides. Progress report, [July 1, 1992--June 30, 1993]. Office of Scientific and Technical Information (OSTI), January 1993. http://dx.doi.org/10.2172/10159378.
Full textChelikowsky, J. R. Theory of the electronic and structural properties of solid state oxides. Progress report, [July 1, 1991--June 30, 1992]. Office of Scientific and Technical Information (OSTI), October 1991. http://dx.doi.org/10.2172/10159577.
Full text