Publication - Journal Article Benchmarking the Fundamental Electronic Properties of small TiO₂ Nanoclusters by GW and Coupled Cluster Theory Calculations

Journal Article

Journal of Chemical Theory and Computation, vol. 13, iss. 8, pp. 3814-3828, 2017

Authors

Enrico Berardo, Ferdinand Kaplan, Kiran Bhaskaran-Nair, William A. Shelton, Michiel J. van Setten, Karol Kowalski, Martijn A. Zwijnenburg

Language English

Publication - Journal Article Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations