Department of Physics, University of Toronto, 60 St. George St., Toronto, Ontario, M5S 1A7, Canada.
J Comput Chem. 2011 Apr 30;32(6):1128-34. doi: 10.1002/jcc.21694. Epub 2010 Nov 19.
With polarization dependent second harmonic generation (SHG) microscopy becoming a more popular method for investigating the structure of biological materials, there is a need to develop tools with which to understand and interpret the observed SHG properties. Quantum mechanical calculations of the hyperpolarizability tensor have become a popular method for understanding the SHG properties of biomolecules. Visualization of the full hyperpolarizability tensor, termed the unit sphere representation, has been developed to provide insight and intuition on the relationship between SHG properties and molecules. A single vector representation is also presented, which approximates the SHG properties of molecules for certain cases, where the anisotropy is negligible.
随着偏振相关二次谐波产生（SHG）显微镜成为研究生物材料结构的一种更受欢迎的方法，人们需要开发工具来理解和解释所观察到的 SHG 性质。量子力学计算的极化率张量已成为理解生物分子 SHG 性质的一种流行方法。全极化率张量的可视化，称为单位球表示，已被开发出来，以提供对 SHG 性质和分子之间关系的洞察力和直觉。还提出了一种单一向量表示，该表示在各向异性可以忽略的某些情况下，近似分子的 SHG 性质。
