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Principles and Parameters in Physics and Chemistry

Published online by Cambridge University Press:  01 January 2022

Abstract

The paper examines critically some recently published views by Ramsey on the contrast between ab initio and parametrized theories. I argue that, all things being equal, ab initio calculations are indeed regarded more highly in the physics and chemistry communities. A case study on density functional approaches in theoretical chemistry is presented in order to re-examine the question of ab initio and parametrized approaches in a contemporary context.

Type
Causation and Explanation in Chemistry
Copyright
Copyright © 2004 by the Philosophy of Science Association

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References

Fermi, Enrico (1927), Rendiconti Accademia Nazionale dei Lincei 6:602607.Google Scholar
Gill, Peter M. W. (1998), “Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-Consistent Field”, in von Rague Schleyer, Paul (ed.), Encyclopedia of Computational Chemistry, Vol. 1. Chichester: Wiley, 678689.Google Scholar
Gill, Peter M. W. (2001), “Obituary, Denisty Functional Theory, 1927–1993”, Obituary, Denisty Functional Theory, 1927–1993 54:661662.Google Scholar
Hehre, Warren J., Radom, Leo, Schleyer, Paul, and Pople, John (1986), Ab Initio Molecular Orbital Theory. New York: John Wiley.Google Scholar
Hohenberg, P., and Kohn, Walter (1964), “Inhomogeneous Electron Gas”, Inhomogeneous Electron Gas B 136:864871.Google Scholar
Kohn, Walter, and Sham, L. J. (1965), “Self-Consistent Equations Including Exchange and Correlation Effects”, Self-Consistent Equations Including Exchange and Correlation Effects A 140:11331138.Google Scholar
Ramsey, Jeffrey (2000), “Of Parameters and Principles, Producing Theory in Twentieth Century Physics and Chemistry”, Of Parameters and Principles, Producing Theory in Twentieth Century Physics and Chemistry 31:549567.Google Scholar
Scerri, Eric R. (2004), “How Ab Initio Is Ab Initio Quantum Chemistry?”, How Ab Initio Is Ab Initio Quantum Chemistry? 6:93116.Google Scholar
Thomas, Lewellyn H. (1927), Proceedings of the Cambridge Philosophical Society 23:542548.CrossRefGoogle Scholar
Wang, Alex, and Carter, Emily A. (2000), “Orbital-Free Kinetic Energy Density Functional Theory”, in Schwartz, S. D. (ed.), Theoretical Methods in Condensed Phase Chemistry. Dordrecht: Kluwer, 117184.Google Scholar