Spanning the Hilbert Space With an Even Tempered Gaussian Basis Set

作者：Cherkes Ira^*; Klaiman Shachar; Moiseyev Nimrod

来源：International Journal of Quantum Chemistry, 2009, 109(13): 2996-3002.

DOI：10.1002/qua.22090

• even-tempered
• gaussian basis
• Gram-Schmidt orthogonalization

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.

• 出版日期2009-11-5