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Density Functional Theory: Advances in Applications
Abstract
DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering.
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Cited by
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
Electronic Structure of Atomically Precise Graphene Nanoribbons
Ruffieux, P., Cai, J., Plumb, N. C., Patthey, L., Prezzi, D., Ferretti, A., Molinari, E., Feng, X., Müllen, K., Pignedoli, C. A., et al. (2012) · ACS Nano · doi:10.1021/nn3021376 · Cited by 494
Conceptual density functional theory: status, prospects, issues
Geerlings, P., Chamorro, E., Chattaraj, P. K., De Proft, F., Gázquez, J. L., Liu, S., Morell, C., Toro-Labbé, A., Vela, A., & Ayers, P. (2020) · Theoretical Chemistry Accounts · doi:10.1007/s00214-020-2546-7 · Cited by 459
Schuch, N., & Verstraete, F. (2009) · Nature Physics · doi:10.1038/nphys1370 · Cited by 260
Accurate molecular polarizabilities with coupled cluster theory and machine learning
Wilkins, D. M., Grisafi, A., Yang, Y., Lao, K. U., DiStasio, R. A., & Ceriotti, M. (2019) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1816132116 · Cited by 204
Metadata
- Venue
- De Gruyter eBooks
- Publisher
- De Gruyter
- Published
- 2018-12-17
- OpenAlex
- W3153767838
- Cited by
- 322
- References
- 0
- FWCI
- 5.54
- Type
- book
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
