On basis set optimisation in quantum chemistry
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Publication:6127051
DOI10.1051/proc/202373107arXiv2207.12190OpenAlexW4288055120MaRDI QIDQ6127051
Geneviève Dusson, Eric Cancès, Gaspard Kemlin, Unnamed Author
Publication date: 10 April 2024
Published in: ESAIM: Proceedings and Surveys (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2207.12190
Cites Work
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- Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry
- On the approximation of electronic wavefunctions by anisotropic Gauss and Gauss-Hermite functions
- Julia: A Fresh Approach to Numerical Computing
- Introduction to vector quantization and its applications for numerics
- Gaussian Approximations, to Wave Functions
- Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
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