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Philosophical Perspectives in Quantum Chemistry

Part of the Synthese Library Book Series (volume 461)

Editors: Lombardi, Olimpia; Martínez González, Juan Camilo; Fortin, Sebastian

DOI: 10.1007/978-3-030-98373-4

ISBN: 978-3-030-98372-7

Publisher: Springer International Publishing - Springer Journals

May 17, 2022

1 - 10 of 10 Chapters

Available

Quantum Chemistry in Historical Perspective

Kampouridis, Stylianos; Simões, Ana; Arabatzis, Theodore

Pages: 3 –28

[Quantum chemistry is a firmly established branch within theoretical chemistry. However, in the late 1920s and early 1930s when the first foundational papers and books appeared, mostly written by physicists as well as by chemists or chemical physicists, the disciplinary identity of the emerging...
Available

How Chemical Is Quantum Chemistry?

Ruthenberg, Klaus

Pages: 29 –59

[This chapter is an exploration of the applicability of quantum chemistry to central aspects of chemical knowledge like the concept of chemical bond and its material background. Lewis’s electronic theory, precursor of modern quantum chemistry, is discussed, and the works of Linus Pauling and Hans...
Available

Interacting Practices: Quantum Chemistry and Organic Synthesis

Goodwin, William

Pages: 61 –80

[This chapter will explore both the ways that Quantum Chemistry can contribute to the design of organic syntheses and the extent to which synthesis problems are epistemically distinct from quantum chemistry. By focusing on the sorts of explanations that organic chemists and quantum chemists...
Available

The Elimination of the Holism-Reductionism Dichotomy Through the Analysis of Quantum Chemistry

Llored, Jean-Pierre

Pages: 81 –104

[The starting point of this chapter is the investigation of quantum chemistry as it is practised in research laboratories. To do so, we investigate how whole-parts strategies are used to perform calculations by referring to different chemical quantum methods. This scrutiny enables us to...
Available

Models and Idealizations in Quantum Chemistry: The Case of the Born-Oppenheimer Approximation

Accorinti, Hernán Lucas; González, Juan Camilo Martínez

Pages: 107 –124

[In the context of the discussion about idealizations, the present chapter aims at two different but complementary objectives. Firstly, we will analyze different kinds of classifications of idealizations that the philosophical literature has proposed during the last decades. The purpose of this...
Available

Do Molecules Have Structure in Isolation? How Models Can Provide the Answer

Seifert, Vanessa A.

Pages: 125 –143

[Molecules may not have structure in isolation. I support this by investigating how quantum models identify structure for isolated molecules. Specifically, I distinguish between two sets of models: those that identify structure in isolation and those that do not. The former identify structure...
Available

Quantum Mechanics and Molecular Structure

Hendry, Robin Findlay

Pages: 147 –172

[In this paper I examine the relationship between quantum mechanics and ideas of structure in chemistry, including the chemical bond. Without structure, chemistry has no account of how to individuate substances, describe them at the molecular level, or explain their chemical and physical...
Available

Is Chemistry Really Founded in Quantum Mechanics?

Sutcliffe, Brian; Woolley, R. Guy

Pages: 173 –202

[The solutions of the Schrödinger Coulomb Hamiltonian, in which the nuclei are fixed and identified, are discussed as providing a theoretical foundation for chemistry. It is shown that supportive relevant aspects of these clamped-nuclei solutions do not arise in solutions of the full problem;...
Available

About the Nature of the Wave Function and Its Dimensionality: The Case of Quantum Chemistry

Fortin, Sebastian; Jaimes Arriaga, Jesús A.

Pages: 203 –216

[The problem of the 3N dimensions of the wave function is of particular interest in the philosophy of physics. In this work, we will recall the main positions about the nature and dimensionality of the wave function and we will introduce a new perspective, coming from quantum chemistry. For this,...
Available

Coarse Graining and the Quantum Theory of Atoms in Molecules

Lombardi, Olimpia; Matta, Chérif F.

Pages: 217 –241

[This chapter explores the role played by the Quantum Theory of Atoms in Molecules (QTAIM) in the relation between molecular chemistry and quantum mechanics, in the conceptual framework of coarse graining. It is shown that the electron density is a coarse-grained magnitude when considered from...

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