A. J. C. Varandas

A double many-body expansion of the two lowest-energy potential surfaces and nonadiabatic coupling for H3

A. J. C. Varandas, Franklin B. Brown, C. Alden Mead et al. · The Journal of Chemical Physics · 1987 · 394 citations

Engineering, Computational Chemistry, Chemistry +20

Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction

M. R. Pastrana, L. A. M. Quintales, João Brandão et al. · The Journal of Physical Chemistry · 1990 · 252 citations

Predicting Catalysis:  Understanding Ammonia Synthesis from First-Principles Calculations

Anders Hellman, E. J. Baerends, Małgorzata Biczysko et al. · The Journal of Physical Chemistry B · 2006 · 216 citations · Full text

Engineering, Computational Chemistry, Chemistry +18

Extrapolating to the one-electron basis-set limit in electronic structure calculations

A. J. C. Varandas · The Journal of Chemical Physics · 2007 · 184 citations

Basis-set extrapolation of the correlation energy

A. J. C. Varandas · The Journal of Chemical Physics · 2000 · 158 citations

Engineering, Other Extrapolation Schemes, Interpolation Space +8