Calculated polarizabilities of small Si clusters
نویسندگان
چکیده
منابع مشابه
Calculated polarizabilities of small Si clusters
The polarizabilities of Si clusters with 9 to 28 atoms are calculated using a density functional cluster method. The atomic geometries are based on those carefully optimized by energy minimization. The polarizability shows fairly irregular variation with cluster size, but all calculated values are higher than the polarizability of a dielectric sphere with bulk dielectric constant and equivalent...
متن کاملExcitons in small hydrogenated Si clusters
The excitonic states of four small hydrogenated Si clusters (SiH4 ,Si2H6 ,Si5H12 , and Si10H16! are studied using the diffusion quantum Monte Carlo approach. The importance of using accurate guiding wave functions is stressed and we show that the quantum chemical singles-only configuration interaction method and the time-dependent density functional theory within the adiabatic local-density app...
متن کاملStatic Electric Dipole Polarizabilities of Na Clusters
The static electric dipole polarizability of NaN clusters with even N has been calculated in a collective, axially averaged and a three-dimensional, finite-field approach for 2 ≤ N ≤ 20, including the ionic structure of the clusters. The validity of a collective model for the static response of small systems is demonstrated. Our density functional calculations verify the trends and fine structu...
متن کاملPolarizabilities of intermediate sized lithium clusters from density-functional theory
We present a detailed investigation of static dipole polarizability of lithium clusters containing up to 22 atoms. We first build a database of lithium clusters by optimizing several candidate structures for the ground state geometry for each size. The full polarizability tensor is determined for about 5-6 isomers of each cluster size using the finite-field method. All calculations are performe...
متن کاملExcited state polarizabilities of conjugated molecules calculated using time dependent density functional theory
In this paper, time-dependent density functional theory ~TDDFT! calculations of excited state polarizabilities of conjugated molecules are presented. The increase in polarizability upon excitation was obtained by evaluating the dependence of the excitation energy on an applied static electric field. The excitation energy was found to vary quadratically with the field strength. The excess polari...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review A
سال: 2000
ISSN: 1050-2947,1094-1622
DOI: 10.1103/physreva.61.025201