On the inclusion of cusp effects in expectation values with explicitly correlated Gaussians
Author:
Affiliation:
1. Institute of Chemistry ELTE, Eötvös Loránd University Budapest Hungary
2. School of Chemistry University of Glasgow Glasgow UK
Funder
H2020 European Research Council
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26819
Reference40 articles.
1. Simple Theorems, Proofs, and Derivations in Quantum Chemistry
2. On the acceleration of the convergence of singular operators in Gaussian basis sets
3. High-accuracy Compton profile of molecular hydrogen from explicitly correlated Gaussian wave function
4. Many‐electron explicitly correlated Gaussian functions. I. General theory and test results
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