72 citations · 135 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2005★ 72 cited
Assessment of Various Density Functionals and Basis Sets for the Calculation of Molecular Anharmonic Force Fields
A. Daniel Boese, Wim Klopper, Jan M. L. Martin
In a previous contribution (Mol. Phys. {\bf 103}, xxxx, 2005), we established the suitability of density functional theory (DFT) for the calculation of molecular anharmonic force f…
physics.chem-ph2004★ 63 cited
Anharmonic force fields and thermodynamic functions using density functional theory
A. Daniel Boese, Wim Klopper, Jan M. L. Martin
The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performanc…