Citation

If results obtained with the Mrcc code are published, the publication must acknowledge the following two references.

“M. Kállay, P. R. Nagy, D. Mester, Z. Rolik, G. Samu, J. Csontos, J. Csóka, P. B. Szabó, L. Gyevi-Nagy, B. Hégely, I. Ladjánszki, L. Szegedy, B. Ladóczki, K. Petrov, M. Farkas, P. D. Mezei, and Á. Ganyecz: The MRCC program system: Accurate quantum chemistry from water to proteins, J. Chem. Phys. 152, 074107 (2020).”

Mrcc, a quantum chemical program suite written by M. Kállay, P. R. Nagy, D. Mester, Z. Rolik, G. Samu, J. Csontos, J. Csóka, P. B. Szabó, L. Gyevi-Nagy, B. Hégely, I. Ladjánszki, L. Szegedy, B. Ladóczki, K. Petrov, M. Farkas, P. D. Mezei, and Á. Ganyecz. See www.mrcc.hu.”

In addition, credit must be given to the corresponding papers which describe the implementation and the underlying methodological developments. The corresponding references are given in Sect. 6 of the manual.

If Mrcc is used combined with other program systems or libraries, the users are also requested to include appropriate citations to those packages as required by their authors.