Dennis R Salahub

Dennis R Salahub

University of Calgary - Calgary / Canada
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 641558
person_outline Dennis R Salahub's MOST POPULAR ARTICLES
1-) Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local …ME Casida, C Jamorski, KC Casida, DR SalahubThe Journal of chemical physics 108 (11), 4439-4449, 199851661998
2-) Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validationN Godbout, DR Salahub, J Andzelm, E WimmerCanadian Journal of Chemistry 70 (2), 560-571, 199234291992
3-) Dynamic polarizabilities and excitation spectra from a molecular implementation of time‐dependent density‐functional response theory: N2 as a case studyC Jamorski, ME Casida, DR SalahubThe Journal of chemical physics 104 (13), 5134-5147, 199610741996
4-) Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics …P Jurečka, J Černý, P Hobza, DR SalahubJournal of computational chemistry 28 (2), 555-569, 20077692007
5-) New algorithm for the optimization of geometries in local density functional theoryA St-Amant, DR SalahubChemical physics letters 169 (5), 387-392, 19907691990