The 'Hyperbola of Quantum Chemistry': the Changing Practice and Identity of a Scientific Discipline in the Early Years of Electronic Digital Computers, 1945-65.
In 1965, John A. Pople presented a paper entitled 'Two-Dimensional Chart of Quantum Chemistry' to illustrate the inverse relationship between the sophistication of computational methods and the size of molecules under study. This chart, later called the 'hyperbola of quantum chemistry', succinctly s...
| Publicado en: | Annals of Science Vol. 60; no. 3; pp. 219 - 248 |
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| Formato: | Artículo |
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Taylor & Francis Ltd
Jul2003
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=10283217&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 10283217 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00033790 7J1 jtl: Annals of Science issn: 00033790 maglogo: Y pubinfo: dt: Jul2003 vid: 60 iid: 3 pid: 377 pub: Taylor & Francis Ltd artinfo: ui: 10283217 10.1080/00033790.2018.12016717 ppf: 219 ppct: 29 formats: fmt: @attributes: type: P size: 866KB tig: atl: The 'Hyperbola of Quantum Chemistry': the Changing Practice and Identity of a Scientific Discipline in the Early Years of Electronic Digital Computers, 1945-65. aug: au: PARK, BUHM SOON su: Quantum chemistry Molecules Computers Communication sug: subj: Quantum chemistry Molecules Computers Communication ab: In 1965, John A. Pople presented a paper entitled 'Two-Dimensional Chart of Quantum Chemistry' to illustrate the inverse relationship between the sophistication of computational methods and the size of molecules under study. This chart, later called the 'hyperbola of quantum chemistry', succinctly summarized the growing tension between the proponents of two different approaches to computation-the ab initio method and semiempirical method-in the early years of electronic digital computers. Examining the development of quantum chemistry after World War II, I focus on the role of computers in shaping disciplinary identity. The availability of high-speed computers in the early 1950s attracted much attention from quantum chemists, and their community took shape through a series of conferences and personal networking. However, this emerging community soon encountered the problem of communication between groups that differed in the degree of reliance they placed on computers. I show the complexity of interactions between computing technology and a scientific discipline, in terms of both forming and splitting the community of quantum chemistry. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y custom: Copyright of Annals of Science is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. item: Annals of Science holder: Taylor & Francis Ltd dt: @attributes: year: 2003 holdings: @attributes: islocal: N |
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