CRYSTAL14: A program for the ab initio investigation of crystalline solids
By Roberto Dovesi, Roberto Orlando, Alessandro Erba, Claudio Marcelo Zicovich-Wilson, Bartolomeo Civalleri, Silvia Casassa, Lorenzo Maschio, M. Ferrabone, M. D. L. Pierre, P. D'arco and 4 more. 2014
1,200 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Biomedical Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/17b66470768279e2e8bd616088047e9e58f0c2f6
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Atomic and Molecular Physics, and Optics
- Sebastian Wouters
- Garnet Kin-Lic Chan
- S. White
- E. Stoudenmire
- Shiwei Zhang
- Sandeep Sharma
- Emanuel Gull
- Mario Motta
In Materials Chemistry
- S. White
- Gustavo E. Scuseria
- Sylvian Cadars
- David M. Ceperley
- Emanuel Gull
- Kirill Okhotnikov
- Thibault Charpentier
- E. Stoudenmire
Citations in the corpus
- PySCF: the Python‐based simulations of chemistry framework (2017, background): “PBC implementations typically use either plane waves 45–48 or local atomic functions 12,49–53 as the underlying orbital basis.”
- Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods (2017, methodology): “Moreover the basis set (standard for open systems) has been periodized according to the standard procedure described in [89], when PBC are applied.”
- Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals (2016, methodology): “The commercial CRYSTAL program [31], a well-known solution for DFT calculations, was very recently extended with a part dedicated to the treatment of disorder in crystals [30] (in version CRYSTAL14).”