Coupled-cluster calculations of static electronic dipole polarizabilities for 145 organic molecules are performed to create a reference data set. The molecules are composed from carbon, hydrogen, nitrogen, oxygen, fluorine, sulfur, chlorine, and bromine atoms. They range in size from triatomics to 14 atoms. The Hartree-Fock and 2nd-order Møller-Plesset methods and 34 density functionals, including local functionals, global hybrid functionals, and range-separated functionals of the long-range-corrected and screened-exchange varieties, are tested against this data set. On the basis of the test results, detailed recommendations are made for selecting density functionals for polarizability computations on relatively small organic molecules.
Static Electric Dipole Polarizabilities of Na Clusters
已计算的静态电偶极极化率的$\mathrm{Na_N}$团簇，甚至N集体，轴向平均和三维，有限场方法$2\le N \le 20$，包括离子结构的集群。证明了小系统静态响应的集体模型的有效性。我们的密度泛函计算验证了在最近的实验中看到的趋势和精细结构。一个赝势，再现实验体键长和原子能级导致计算的极化率大幅增加，与实验更好地吻合。我们与剩余的差异的理论和实验的极化率的大小有限的温度在实验中存在。
Electric Dipole Moments and Static Dipole Polarizabilities of Alkali--Alkaline-Earth Molecules: Non-relativistic versus relativistic coupled-cluster theory analyses
Ab Initio Calculations of the Static and Dynamic Polarizability of BaOH
University of Groningen（格罗宁根大学）；Nikhef, National Institute for Subatomic Physics（尼霍夫国家亚原子物理研究所）；Indian Institute of Technology Bombay（孟买印度理工学院）；Comenius University（科米纽斯大学）
An {\it ab initio} relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions
Comparative study of unscreened and screened molecular static linear polarizability in the Hartree-Fock, hybrid-density functional, and density functional models
Role of enviromental dynamic polarizability in static excited state properties of embedded molecular systems: Application to disordered fluorographene systems
Structure and static response of small silver clusters to an external electric field
采用有限场方法中的密度泛函理论，利用原子高斯型轨道的线性组合，研究了银团簇在$1\le n \le 23$尺寸范围内的静态响应特性和结构稳定性. Kohn-Sham方程与广义梯度近似（GGA）交换关联泛函结合求解。附录中还包括有限基集GGA计算保持Hellmann-Feynman定理的证明。计算的银团簇的极化率与实验测量值和Jelterton模型在溢出近似下进行了比较。尽管事实上，计算的极化率是在很好的协议与他们两个，我们已经发现，极化率似乎是强烈相关的集群的形状和最高占用最低未占分子轨道间隙。
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods
