Mihaly Kallay

发表

Integral-direct and parallel implementation of the CCSD(T) method: algorithmic developments and large-scale applications.

Laszlo Gyevi-Nagy, Mihaly Kallay, Péter R Nagy, 2019, Journal of chemical theory and computation.

W3 theory: robust computational thermochemistry in the kJ/mol accuracy range.

Mihaly Kallay, Onur Atasoylu, Jan M L Martin, 2003, Journal of Chemical Physics.