The MRCC program system: Accurate quantum chemistry from water to proteins

Kallay, M; Nagy, PR; Mester, D; Rolik, Z; Samu, G; Csontos, J; Csoka, J; Szabo, PB; Gyevi-Nagy, L; Hegely, B; Ladjanszki, I; Szegedy, L; Ladoczki, B; Petrov, K; Farkas, M; Mezei, PD; Ganyecz, A

Kallay, M (corresponding author), Budapest Univ Technol & Econ, Dept Phys Chem & Mat Sci, POB 91, H-1521 Budapest, Hungary.

JOURNAL OF CHEMICAL PHYSICS, 2020; 152 (7):

Abstract

MRCC is a package of ab initio and density functional quantum chemistry programs for accurate electronic structure calculations. The suite has efficie......

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