We present a method of fitting arbitrary functions to linear combinations of Gaussians. In particular, we discuss an adaptation of Prony's method, or separation of exponentials, which allows us to automatically select appropriate exponents for these Gaussians. We then apply this technique to the selection of dealiasing sets for pseudospectral electron correlation methods. We show that it can successfully choose functions that generally improve the accuracy of pseudospectral correlation energies while reducing the size of the dealiasing set chosen.
|Original language||English (US)|
|Number of pages||15|
|Journal||Journal of Computational Chemistry|
|State||Published - Jan 1 1998|
All Science Journal Classification (ASJC) codes
- Computational Mathematics