Alieś Salahub

Recent publications · Crossref

5 total works indexed

1. Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

   · 1998 · cited 4,808x

2. Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

   · 1992 · cited 2,831x

3. Dynamic polarizabilities and excitation spectra from a molecular implementation of time-dependent density-functional response theory: N2 as a case study

   · 1996 · cited 880x

4. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with <i>ab initio</i> quantum mechanics calculations

   · 2006 · cited 623x

5. New algorithm for the optimization of geometries in local density functional theory

   · 1990 · cited 622x

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