Overview of Developments in the MRCC Program System

mrcc is a versatile suite of quantum chemistry programs designed for accurate and density functional theory (DFT) calculations. This contribution outlines the general features and recent developments of the package. The most popular features include the open-ended coupled-cluster (CC) code, state-of...

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Vydané v:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Ročník 129; číslo 8; s. 2086
Hlavní autori:	Mester, Dávid, Nagy, Péter R, Csóka, József, Gyevi-Nagy, László, Szabó, P Bernát, Horváth, Réka A, Petrov, Klára, Hégely, Bence, Ladóczki, Bence, Samu, Gyula, Lőrincz, Balázs D, Kállay, Mihály
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	United States 27.02.2025
ISSN:	1520-5215, 1520-5215
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