An efficient implementation of second analytical derivatives for density functional methods

By P. Deglmann, Filipp Furche, Reinhart Ahlrichs. 2002

462 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/a5a5efc8a05324b36b29723475418ab7160c324e