Abstract
After nearly four decades of curiosity-driven research, electron-pair densities are about to become part of the incredible wealth of algorithms and computer codes that constitute contemporary electronic structure methods. The earliest studies of electron-pair densities focused on the relative motion of two electrons and aimed at gaining insights into the physical consequences of electron correlation. More recently, the balance has shifted in the direction of using information from electron-pair densities to develop faster computational methods for high-level, many-electron calculations.
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Valderrama, E., Ugalde, J.M., Boyd, R.J. (2000). Intracule and Extracule Densities: Historical Perspectives and Future Prospects. In: Cioslowski, J. (eds) Many-Electron Densities and Reduced Density Matrices. Mathematical and Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4211-7_11
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DOI: https://doi.org/10.1007/978-1-4615-4211-7_11
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