Comparison of Methods for Active Orbital Selection in...

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Comparison of Methods for Active Orbital Selection in Multiconfigurational Calculations

Tóth, Zsuzsanna, Pulay, Peter
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00123
Date:
November, 2020
File:
PDF, 3.75 MB
2020
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