Efficiency of numerical basis sets for predicting the binding energies of hydrogen bonded complexes: Evidence of small basis set superposition error compared to Gaussian basis sets

By Y. Inada, H. Orita. Journal of Computational Chemistry, 2008

555 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Computational Theory and Mathematics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/1c9c582a4ddc44fdd4267a9b9e8b2da078d77a9c