LEADER 04253nam 22007815 450 001 9910298619103321 005 20200909212016.0 010 $a3-319-11068-3 024 7 $a10.1007/978-3-319-11068-4 035 $a(CKB)3710000000291491 035 $a(EBL)1968637 035 $a(OCoLC)896824746 035 $a(SSID)ssj0001386381 035 $a(PQKBManifestationID)11746806 035 $a(PQKBTitleCode)TC0001386381 035 $a(PQKBWorkID)11374133 035 $a(PQKB)11701740 035 $a(DE-He213)978-3-319-11068-4 035 $a(MiAaPQ)EBC1968637 035 $a(PPN)183091523 035 $a(EXLCZ)993710000000291491 100 $a20141120d2015 u| 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aCalculations on nonlinear optical properties for large systems $eThe elongation method /$fby Feng Long Gu, Yuriko Aoki, Michael Springborg, Bernard Kirtman 205 $a1st ed. 2015. 210 1$aCham :$cSpringer International Publishing :$cImprint: Springer,$d2015. 215 $a1 online resource (106 p.) 225 1 $aSpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,$x2730-7751 300 $aDescription based upon print version of record. 311 $a3-319-11067-5 320 $aIncludes bibliographical references at the end of each chapters and index. 327 $aSurvey of Nonlinear Optical Materials -- Quantum-Mechanical Treatment of Responses to Electric Fields ? Molecular Systems -- Quantum-Mechanical Treatment of Responses to Electric Fields ? Extended Systems -- The Elongation Method -- Applications of the Elongation Method to NLO Properties -- Future Prospects. 330 $aFor design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods. 410 0$aSpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,$x2730-7751 606 $aChemistry, Physical and theoretical 606 $aOptics 606 $aElectrodynamics 606 $aNanotechnology 606 $aProteins 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aClassical Electrodynamics$3https://scigraph.springernature.com/ontologies/product-market-codes/P21070 606 $aNanotechnology$3https://scigraph.springernature.com/ontologies/product-market-codes/Z14000 606 $aProtein Science$3https://scigraph.springernature.com/ontologies/product-market-codes/L14040 615 0$aChemistry, Physical and theoretical. 615 0$aOptics. 615 0$aElectrodynamics. 615 0$aNanotechnology. 615 0$aProteins. 615 14$aTheoretical and Computational Chemistry. 615 24$aClassical Electrodynamics. 615 24$aNanotechnology. 615 24$aProtein Science. 676 $a535.2 700 $aGu$b Feng Long$4aut$4http://id.loc.gov/vocabulary/relators/aut$0860915 702 $aAoki$b Yuriko$4aut$4http://id.loc.gov/vocabulary/relators/aut 702 $aSpringborg$b Michael$4aut$4http://id.loc.gov/vocabulary/relators/aut 702 $aKirtman$b Bernard$4aut$4http://id.loc.gov/vocabulary/relators/aut 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910298619103321 996 $aCalculations on nonlinear optical properties for large systems$91921247 997 $aUNINA