The static electric dipole polarizability of small Si clusters was investigated. The methods used were based on different techniques to calculate the polarizability. Thus, some methods used the higher-order finite-difference pseudopotential, while others have employed an all-electron approach. The results show that B3PW91 combined with pseudo-potential and a suitable basis set was a very powerful method to reproduce the polarizabilities of Sin clusters with size range n=1-8
cited By 15International audienceThe influence of a doping agent on the static dipole (hyper) polari...
cited By 3International audienceFirst and second hyperpolarizabilities of small silicon clusters hav...
We have employed a hierarchy of basis sets and computational techniques in order to approach the pol...
We have studied the polarizabilities of neutral silicon clusters with 8 to 75 atoms at 300 K employi...
cited By 85International audienceDipole polarizabilities of small silicon clusters were discussed. D...
cited By 20International audienceWe report static dipole (hyper)polarizability values for silicon. R...
cited By 49International audienceWe have calculated static electric dipole (hyper)polarizabilities f...
cited By 22International audienceElectrostatic interaction schemes have been applied to predict the ...
Applying the classical discrete reaction field (DRF) approach, which includes a treatment for the so...
cited By 14International audienceTwo medium-size silicon clusters, namely, Si9 and Si12, have been u...
©2005 The American Physical SocietyA cluster consisting of many atoms or molecules may be considered...
cited By 2International audienceThe structures and the properties of small clusters are known to be ...
International audienceThe electric polarizability and the electric permanent dipole are important qu...
We evaluate static polarizability of small ionic liquid clusters by means of molecular dynamics simu...
cited By 55International audienceWe report conventional ab initio and B3LYP/DFT calculations for the...
cited By 15International audienceThe influence of a doping agent on the static dipole (hyper) polari...
cited By 3International audienceFirst and second hyperpolarizabilities of small silicon clusters hav...
We have employed a hierarchy of basis sets and computational techniques in order to approach the pol...
We have studied the polarizabilities of neutral silicon clusters with 8 to 75 atoms at 300 K employi...
cited By 85International audienceDipole polarizabilities of small silicon clusters were discussed. D...
cited By 20International audienceWe report static dipole (hyper)polarizability values for silicon. R...
cited By 49International audienceWe have calculated static electric dipole (hyper)polarizabilities f...
cited By 22International audienceElectrostatic interaction schemes have been applied to predict the ...
Applying the classical discrete reaction field (DRF) approach, which includes a treatment for the so...
cited By 14International audienceTwo medium-size silicon clusters, namely, Si9 and Si12, have been u...
©2005 The American Physical SocietyA cluster consisting of many atoms or molecules may be considered...
cited By 2International audienceThe structures and the properties of small clusters are known to be ...
International audienceThe electric polarizability and the electric permanent dipole are important qu...
We evaluate static polarizability of small ionic liquid clusters by means of molecular dynamics simu...
cited By 55International audienceWe report conventional ab initio and B3LYP/DFT calculations for the...
cited By 15International audienceThe influence of a doping agent on the static dipole (hyper) polari...
cited By 3International audienceFirst and second hyperpolarizabilities of small silicon clusters hav...
We have employed a hierarchy of basis sets and computational techniques in order to approach the pol...