Special issue: Philosophical aspects and implications of the quantum theory of atoms in molecules (QTAIM)

Matta, Chérif F.

doi:10.1007/s10698-013-9194-0

Cited by 19 publications

(10 citation statements)

References 42 publications

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“…The attachment to a semi-classical picture of reality perhaps explains the positive reception of the so-called 'Quantum Theory of Atoms in Molecules' (QTAIM) in the community of quantum chemists (see, e.g., Matta et al, 2011;Matta, 2013). The QTAIM, proposed by the Canadian quantum chemist Richard Bader (1990), is introduced as the theory Tópicos, Revista de Filosofía 58, ene-jun (2020) Universidad Panamericana, Ciudad de México, México that supplies the rigorous theoretical foundation, based on quantum mechanics, to chemical notions such as molecular structure and chemical bonding.…”

Section: -What Ontology Does Quantum Chemistry Refer To?mentioning

confidence: 99%

About the Ontology of Quantum Chemistry

González

2019

Tópicos (México)

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Quantum chemistry is the branch of chemistry whose primary focus is the application of quantum mechanics to chemical systems at the molecular level. Precisely due to its peculiar position between chemistry and physics, in the last times it has begun to engage the interest of the philosophers of chemistry. Nevertheless, in this philosophical field, quantum chemistry has been studied mainly from a historical viewpoint or from a perspective interested on methodological issues. By contrast, the question that will guide this article is: what kind of ontic items are those studied by quantum chemistry? In order to develop the argumentation, first the relevance of the ontological questions will be addressed. Then, it will be considered in what measure the Born-Oppenheimer approximation and the quantum-chemistry concept of electron fit in the quantum theoretical context. Finally, some issues about what quantum chemistry refers to will be discussed.

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Section: -What Ontology Does Quantum Chemistry Refer To?mentioning

confidence: 99%

About the Ontology of Quantum Chemistry

González

2019

Tópicos (México)

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“…In this context, the most serious obstacles arise when quantum mechanics attempts to account for molecular structure. It is precisely in this regard that the Quantum Theory of Atoms in Molecules (QTAIM), proposed by the Canadian quantum chemist Richard Bader (1990), has begun to attract the attention of chemists and philosophers of chemistry (see, e.g., Matta et al 2011;Matta 2013). In fact, the QTAIM is introduced as the theory that supplies the rigorous theoretical foundation, based on quantum mechanics, to the chemical notion of molecular structure.…”

Section: Introductionmentioning

confidence: 99%

A new chapter in the problem of the reduction of chemistry to physics: the Quantum Theory of Atoms in Molecules

2019

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The problem of the reduction of chemistry to physics has been traditionally addressed in terms of classical structural chemistry and standard quantum mechanics. In this work, we will study the problem from the perspective of the Quantum Theory of Atoms in Molecules (QTAIM), proposed by Richard Bader in the nineties. The purpose of this article is to unveil the role of QTAIM in the inter-theoretical relations between chemistry and physics. We argue that, although the QTAIM solves two relevant obstacles to reduction by providing a rigorous definition of chemical bond and of atoms in a molecule, it appeals to concepts that are unacceptable in the quantum-mechanical context. Therefore, the QTAIM fails to provide the desired reduction. On the other hand, we will show that the QTAIM is more similar to Bohmian mechanics and that the basic elements of both theories are closely related.

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“…Dentro de esta temática, el principal problema surge cuando la mecánica cuántica trata de dar cuenta de la estructura molecular. Y es en este aspecto que en los últimos años ha logrado un creciente interés la teoría cuántica de átomos en moléculas (TCAEM), desarrollada por el químico cuántico canadiense Richard Bader (1994), tanto en la comunidad científica (Matta, Massa & Keith 2011) como en la filosófica (Matta 2013), ya que ofrece una fundamentación teórica rigurosa, basada en la mecánica cuántica, para la noción química de estructura molecular.…”

Section: Introductionunclassified

La teoría cuántica de átomos en moléculas y su rol en la reducción de la química a la física

Arriaga¹,

Fortín²

2019

Metatheo

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El problema de la reducción entre química y física ha sido abordado principalmente a través de la mecánica cuántica estándar y la química clásica estructural. En este trabajo la estudiaremos desde la perspectiva de una teoría alternativa a la cuántica estándar, la mecánica Bohmiana y la teoría cuántica de átomos en moléculas (TCAEM) propuesta por Bader. El propósito de este artículo se centra en develar el papel que desempeña la TCAEM en las relaciones interteóricas entre química y física. Argumentaremos que si bien la TCAEM supera dos grandes obstáculos al brindar una definición rigurosa de enlace químico y átomos dentro de una molécula, la teoría hace uso de nociones clásicas incompatibles con los principios de la mecánica cuántica tradicional y por lo tanto no logra la reducción. Por otro lado mostraremos que la TCAEM guarda mayor similitud con la mecánica Bohmiana y que los elementos básicos de ambas teorías resultan afines.

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Special issue: Philosophical aspects and implications of the quantum theory of atoms in molecules (QTAIM)

Cited by 19 publications

References 42 publications

About the Ontology of Quantum Chemistry

About the Ontology of Quantum Chemistry

A new chapter in the problem of the reduction of chemistry to physics: the Quantum Theory of Atoms in Molecules

La teoría cuántica de átomos en moléculas y su rol en la reducción de la química a la física

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