• Search for a density-based alternative quantum mechanics of many-electron systems

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/093/06/0965-0976

    • Keywords

       

      Density mechanics; electron density; densityfunctional theory; quantum hydrodynamics

    • Abstract

       

      There are three reasons for seeking an alternative density-based quantum mechanics of many-electron systems, incorporating both interpretive and basic quantum mechanical aspects: (i) failure of popularad hoc chemical concepts underab initio scrutiny; (ii) failure ofab initio calculations to provide simple concepts; and (iii) highly attractive concepts and pictures generated by the electron density in three-dimensional space. At present the three interlinked pillars for such a density mechanics (in contrast to wave mechanics) are: (a) density functional theory; (b) quantum fluid dynamics; and (c) property densities in three-dimensional space. This article describes several studies dealing with these aspects. Although a density mechanics may well be an impossible ideal to realize, the search for it is indeed rejuvenating the whole of quantum chemistry.

    • Author Affiliations

       

      B M Deb1

      1. Department of Chemistry and Group of Theoretical Studies, Indian Institute of Technology, Bombay - 400 076, India
    • Dates

       
  • Journal of Chemical Sciences | News

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