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dc.contributor.author
Matta, Chérif F.
dc.contributor.author
Lombardi, Olimpia Iris
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dc.contributor.author
Jaimes Arriaga, Jesus Alberto
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dc.date.available
2022-09-09T20:04:50Z
dc.date.issued
2020-01
dc.identifier.citation
Matta, Chérif F.; Lombardi, Olimpia Iris; Jaimes Arriaga, Jesus Alberto; Two-step emergence: the quantum theory of atoms in molecules as a bridge between quantum mechanics and molecular chemistry; Springer; Foundations of Chemistry; 22; 1; 1-2020; 107-129
dc.identifier.issn
1572-8463
dc.identifier.uri
http://hdl.handle.net/11336/168218
dc.description.abstract
By moving away from the traditional reductionist reading of the quantum theory of atoms in molecules (QTAIM), in this paper we analyze the role played by QTAIM in the relationship between molecular chemistry and quantum mechanics from an emergentist perspective. In particular, we show that such a relationship involves two steps: an intra-domain emergence and an inter-domain emergence. Intra-domain emergence, internal to quantum mechanics, results from the fact that the electron density, from which all the other QTAIM’s concepts are defned, arises from the wavefunction as a coarse-grained magnitude. Inter-domain emergence involves an analogical link, a mapping, between QTAIM’s entities, such as topological atoms and bond paths, and the entities that populate the molecular-chemistry domain, such as chemical atoms and chemical bonds.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Springer
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
QUANTUM THEORY OF ATOMS IN MOLECULES (QTAIM)
dc.subject
REDUCTION
dc.subject
EMERGENCE
dc.subject
COARSE GRAINING
dc.subject
HOHENBERG AND KOHN THEOREMS
dc.subject.classification
Filosofía, Historia y Filosofía de la Ciencia y la Tecnología
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dc.subject.classification
Filosofía, Ética y Religión
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dc.subject.classification
HUMANIDADES
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dc.title
Two-step emergence: the quantum theory of atoms in molecules as a bridge between quantum mechanics and molecular chemistry
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2022-09-08T15:15:48Z
dc.journal.volume
22
dc.journal.number
1
dc.journal.pagination
107-129
dc.journal.pais
Alemania
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dc.journal.ciudad
Berlín
dc.description.fil
Fil: Matta, Chérif F.. Mount Saint Vincent University; Canadá. Dalhousie University Halifax; Canadá
dc.description.fil
Fil: Lombardi, Olimpia Iris. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Filosofía y Letras. Instituto de Filosofía "Dr. Alejandro Korn"; Argentina
dc.description.fil
Fil: Jaimes Arriaga, Jesus Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Filosofía y Letras. Instituto de Filosofía "Dr. Alejandro Korn"; Argentina
dc.journal.title
Foundations of Chemistry
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007/s10698-020-09352-w
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1007/s10698-020-09352-w
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