TY - GEN N2 - For 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 a. AB - For 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 a. T1 - Calculations on nonlinear optical properties for large systemsthe elongation method / AU - Gu, Feng Long, AU - Aoki, Yuriko, AU - Springborg, Michael, AU - Kirtman, Bernard, CN - QC446.2 ID - 724478 KW - Nonlinear optics. SN - 9783319110684 SN - 3319110683 TI - Calculations on nonlinear optical properties for large systemsthe elongation method / LK - https://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-319-11068-4 UR - https://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-319-11068-4 ER -