Multiresolution analysis in multiwavelet bases is being investigated as an alternative computational framework for molecular electronic structure calculations. The features that make it attractive include an orthonormal basis, fast algorithms with guaranteed precision and sparse representations of many operators (e.g., Green functions). In this paper, we discuss the multiresolution formulation of quantum chemistry including application to density functional theory and developments that make practical computation in three and higher dimensions. © Springer-Verlag Berlin Heidelberg 2003.
CITATION STYLE
Harrison, R. J., Fann, G. I., Yanai, T., & Beylkin, G. (2003). Multiresolution quantum chemistry in multiwavelet bases. Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 2660, 103–110. https://doi.org/10.1007/3-540-44864-0_11
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