Importance of eigenvector sign consistency in computations of expectation values via mixed quantum-classical surface-hopping dynamics
Author:
Funder
Natural Sciences and Engineering Research Council of Canada
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/article/10.1007/s00214-017-2105-z/fulltext.html
Reference27 articles.
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2. Rosspeintner A, Lang B, Vauthey E (2013) Annu Rev Phys Chem 64:247
3. Hanna G, Kapral R (2013) Reaction rate constant computations: theories and applications. In: Han K, Chu T (eds) The royal society of chemistry, pp 233–259
4. Migliore A, Polizzi NF, Therien MJ, Beratan DN (2014) Chem Rev 114:3381
5. Blumberger J (2015) Chem Rev 115:11191
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