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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package by Epifanovsky, E, Gilbert, ATB, Feng, X, Lee, J, Mao, Y, Mardirossian, N, Pokhilko, P, White, AF, Coons, MP, Dempwolff, AL, Gan, Z, Hait, D, Horn, PR, Jacobson, LD, Kaliman, I, Kussmann, J, Lange, AW, Lao, KU, Levine, DS, Liu, J, McKenzie, SC, Morrison, AF, Nanda, KD, Plasser, F, Rehn, DR, Vidal, ML, You, Z-Q, Zhu, Y, Alam, B, Albrecht, BJ, Aldossary, A, Alguire, E, Andersen, JH, Athavale, V, Barton, D, Begam, K, Behn, A, Bellonzi, N, Bernard, YA, Berquist, EJ, Burton, HGA, Carreras, A, Carter-Fenk, K, Chakraborty, R, Chien, AD, Closser, KD, Cofer-Shabica, V, Dasgupta, S, de Wergifosse, M, Deng, J, Et al.
Published 2021Journal article