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Integration of Products of Gaussians and Wavelets with Applications to Electronic Structure Calculations

✍ Scribed by Bachmayr, Markus

Book ID
121708781
Publisher
Society for Industrial and Applied Mathematics
Year
2013
Tongue
English
Weight
728 KB
Volume
51
Category
Article
ISSN
0036-1429

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πŸ“œ SIMILAR VOLUMES

Distributed basis sets of s-type Gaussia
Distributed basis sets of s-type Gaussian functions for molecular electronic structure calculations: Applications of the Gaussian cell model to one-electron polycentric linear molecular systems
✍ S. Wilson πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 799 KB

## I A particular formulation of the distributed Gaussian basis-set approach, the extended Gaussian cell model, is applied to the simplest polycentric molecule, the linear H:+ ion. Calculations of the total energy using two extensions of the original Gaussian cell model are described and results a