An approximation strategy to compute accurate initial...

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An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries

Polack, É., Mikhalev, A., Dusson, G., Stamm, B., Lipparini, F.
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Journal:
Molecular Physics
DOI:
10.1080/00268976.2020.1779834
Date:
June, 2020
File:
PDF, 2.22 MB
2020
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