Spanning the Hilbert space with an even tempered Gaussian basis set
Abstract
In this work we show how and why the well-known Gaussian even-tempered basis spans the Hilbert space evenly. This basis is thought to be chosen based mainly on empirical results. However as shown here it can also be deduced based on rigorous numerical ground using a Gram-Schmidt orthogonalization procedure.
- Publication:
-
International Journal of Quantum Chemistry
- Pub Date:
- 2009
- DOI:
- 10.1002/qua.22090
- Bibcode:
- 2009IJQC..109.2996C
- Keywords:
-
- even-tempered;
- Gaussian basis;
- Gram-Schmidt orthogonalization