Complete space quantum chemistry by multiresolution multiwavelet basis set

DOI10.1142/S0219691313600084MaRDI QIDQ2868204zbMATH OpenOpenAlexFDO

Authors Hideo Sekino, Akira Matsumura, Yukina Yokoi, Tetsuya Kato

Publication date 27 December 2013

Published in International Journal of Wavelets, Multiresolution and Information Processing (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1142/s0219691313600084

zbMATH Keywords

complete spacegeometry optimizationmultiresolution multiwaveletquantum chemistry

Mathematics Subject Classification ID

Nontrigonometric harmonic analysis involving wavelets and other special systems (42C40) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• Adaptive solution of partial differential equations in multiwavelet bases
• Multiwavelet analysis of the solution for physical equations

Cited in

(3)

• Wavelet Scattering Regression of Quantum Chemical Energies
• On basis set optimisation in quantum chemistry
• QUALITY: A program to assess basis set quality

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