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Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications

Author
Organization
Project
240483 (ERC)
Keywords
Hirshfeld-I, DFT, implementation, solids, atoms in molecules, AIM, Hirshfeld

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Citation

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MLA
Vanpoucke, Danny et al. “Calculating Hirshfeld-I Charges in Solids: Implementation, Pitfalls and Applications.” BPS Annual Meeting Abstracts. Belgian Physical Society, 2013. CMN4–CMN4. Print.
APA
Vanpoucke, D., Van Damme, S., Cottenier, S., Bultinck, P., Van Driessche, I., & Van Speybroeck, V. (2013). Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications. BPS annual meeting abstracts (pp. CMN4–CMN4). Presented at the Belgian Physical Society: General Scientific Meeting 2013, Belgian Physical Society.
Chicago author-date
Vanpoucke, Danny, Sofie Van Damme, Stefaan Cottenier, Patrick Bultinck, Isabel Van Driessche, and Veronique Van Speybroeck. 2013. “Calculating Hirshfeld-I Charges in Solids: Implementation, Pitfalls and Applications.” In BPS Annual Meeting Abstracts, CMN4–CMN4. Belgian Physical Society.
Chicago author-date (all authors)
Vanpoucke, Danny, Sofie Van Damme, Stefaan Cottenier, Patrick Bultinck, Isabel Van Driessche, and Veronique Van Speybroeck. 2013. “Calculating Hirshfeld-I Charges in Solids: Implementation, Pitfalls and Applications.” In BPS Annual Meeting Abstracts, CMN4–CMN4. Belgian Physical Society.
Vancouver
1.
Vanpoucke D, Van Damme S, Cottenier S, Bultinck P, Van Driessche I, Van Speybroeck V. Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications. BPS annual meeting abstracts. Belgian Physical Society; 2013. p. CMN4–CMN4.
IEEE
[1]
D. Vanpoucke, S. Van Damme, S. Cottenier, P. Bultinck, I. Van Driessche, and V. Van Speybroeck, “Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications,” in BPS annual meeting abstracts, Louvain-la-neuve, Belgium, 2013, pp. CMN4–CMN4.
@inproceedings{3221986,
  author       = {Vanpoucke, Danny and Van Damme, Sofie and Cottenier, Stefaan and Bultinck, Patrick and Van Driessche, Isabel and Van Speybroeck, Veronique},
  booktitle    = {BPS annual meeting abstracts},
  keywords     = {Hirshfeld-I,DFT,implementation,solids,atoms in molecules,AIM,Hirshfeld},
  language     = {eng},
  location     = {Louvain-la-neuve, Belgium},
  pages        = {CMN4--CMN4},
  publisher    = {Belgian Physical Society},
  title        = {Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications},
  year         = {2013},
}