Attila Tajti

HEAT: High accuracy extrapolated <i>ab initio</i> thermochemistry

Attila Tajti, Péter G. Szalay, Attila G. Császár et al. · The Journal of Chemical Physics · 2004 · 789 citations · Full text

Thermodynamic Modelling, High Accuracy, Chemical Bonds +12

Analytic calculation of the diagonal Born-Oppenheimer correction within configuration-interaction and coupled-cluster theory

Attila Tajti, Mihály Kállay, John F. Stanton et al. · The Journal of Chemical Physics · 2006 · 196 citations

Engineering, Proton-coupled Electron Transfer, Computational Chemistry +16

Can coupled-cluster theory treat conical intersections?

Andreas Köhn, Attila Tajti · The Journal of Chemical Physics · 2007 · 110 citations

Localized Excited State, Engineering, Geometry +17

A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods

Balázs Kozma, Attila Tajti, Baptiste Démoulin et al. · Journal of Chemical Theory and Computation · 2020 · 83 citations · Full text

Localized Excited State, Engineering, Excitation Energy Transfer +19

Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets

Dániel Kánnár, Attila Tajti, Péter G. Szalay · Journal of Chemical Theory and Computation · 2016 · 77 citations

Localized Excited State, Engineering, Rydberg-type States +21