Blar i forfatter Doktorgradsavhandlinger (NT-fak) "Brakestad, Anders"
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Applications of Multiwavelets to Energies and Properties
Brakestad, Anders (Doctoral thesis; Doktorgradsavhandling, 2022-02-18)The goal of quantum chemistry is to provide fast and accurate algorithms for the computation of molecular energies and properties. Over the years, a large number of methods have become available, and today computational chemists have a very rich toolbox of protocols that can be used to gain insight to chemistry. Gaussian type orbital (GTO) basis sets are at the core of most modern algorithms, and ...