Incorrect diatomic dissociation in variational reduced...

Physical Chemistry Chemical Physics 2009 Vol. 11; Iss. 27

Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms

Van Aggelen, Helen, Bultinck, Patrick, Verstichel, Brecht, Van Neck, Dimitri, Ayers, Paul W.
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Volume:
11
Year:
2009
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/B907624G
File:
PDF, 950 KB
english, 2009
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