Roger Amos

Roger Amos

Australian National University - Canberra / Australia
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 130155
person_outline Roger Amos's MOST POPULAR ARTICLES
1-) Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?DJ Tozer, RD Amos, NC Handy, BO Roos, L Serrano-AndresMolecular physics 97 (7), 859-868, 19996481999
2-) MOLPRO, version 2010.1, a package of ab initio programsHJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...See http://www. molpro. net, 2010579*2010
3-) Geometric derivatives of excitation energies using SCF and DFTC Van Caillie, RD AmosChemical physics letters 308 (3-4), 249-255, 19994301999
4-) Geometric derivatives of density functional theory excitation energies using gradient-corrected functionalsC Van Caillie, RD AmosChemical Physics Letters 317 (1-2), 159-164, 20004232000
5-) CADPAC: the Cambridge analytic derivatives packageRD Amos, JE RiceCambridge, UK, 19874111987