CRYSTAL23: A Program for Computational Solid State Physics and Chemistry

The Crystal program for quantum-mechanical simulations of materials has been bridging the realm of molecular quantum chemistry to the realm of solid state physics for many years, since its first public version released back in 1988. This peculiarity stems from the use of atom-centered basis function...

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Bibliographic Details
Published in:	Journal of chemical theory and computation Vol. 19; no. 20; p. 6891
Main Authors:	Erba, Alessandro, Desmarais, Jacques K, Casassa, Silvia, Civalleri, Bartolomeo, Donà, Lorenzo, Bush, Ian J, Searle, Barry, Maschio, Lorenzo, Edith-Daga, Loredana, Cossard, Alessandro, Ribaldone, Chiara, Ascrizzi, Eleonora, Marana, Naiara L, Flament, Jean-Pierre, Kirtman, Bernard
Format:	Journal Article
Language:	English
Published:	United States 24.10.2023
ISSN:	1549-9626, 1549-9626
Online Access:	Get more information
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