Real‐time time‐dependent density functional theory using density fitting and the continuous fast multipole method
نویسندگان
چکیده
منابع مشابه
The continuous fast multipole method
We introduce the continuous fast multipole method (CFMM), a generalization of the fast multipole method for calculating Coulomb interaction of point charges. The CFMM calculates Coulomb interactions between charge distributions, represented by continuous functions, in work scaling linearly with their number for constant density systems. Model calculations suggest that for errors in the potentia...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2020
ISSN: 0192-8651,1096-987X
DOI: 10.1002/jcc.26412