Game of basis sets pinpointing charge transfer states: example for LiH
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-023-03037-1.pdf
Reference40 articles.
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4. Ren M, Liu X, Zhang L, Lin X, Wu W, Chen Z (2022) Compact and accurate ab initio valence bond wave functions for electron transfer: the classic but challenging covalent-ionic interaction in LiF. J Chem Phys 157(8):084106. https://doi.org/10.1063/5.0097614
5. Nkambule SM, Nurzia P, Larson Å (2015) Mutual neutralization in collisions of Li + and F -. Chem Phys 462:23–27. https://doi.org/10.1016/j.chemphys.2015.08.006
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1. Mutual neutralization in collisions of Li+ with CN−;Physical Chemistry Chemical Physics;2024
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