@article{ec62b14f1fea4b66bbb2fdb3e922e145,

title = "Sublinear scaling for time-dependent stochastic density functional theory",

abstract = "A stochastic approach to time-dependent density functional theory is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves time-propagation of a small set of stochastic orbitals which are first projected on the occupied space and then propagated in time according to the time-dependent Kohn-Sham equations. The evolving electron density is exactly represented when the number of random orbitals is infinite, but even a small number ({\^a}‰16) of such orbitals is enough to obtain meaningful results for absorption spectrum and the RPA correlation energy per electron. We implement the approach for silicon nanocrystals using real-space grids and find that the overall scaling of the algorithm is sublinear with computational time and memory.",

author = "Yi Gao and Daniel Neuhauser and Roi Baer and Eran Rabani",

note = "Publisher Copyright: {\textcopyright} 2015 AIP Publishing LLC.",

year = "2015",

month = jan,

day = "21",

doi = "10.1063/1.4905568",

language = "אנגלית",

volume = "142",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "3",

}