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1989

Physics

Ground State

Articles 1 - 3 of 3

Full-Text Articles in Physical Sciences and Mathematics

Ground State Of Trans-Polyacetylene And The Peierls Mechanism - Ashkenazi Et Al. Reply, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb Jan 1989

Ground State Of Trans-Polyacetylene And The Peierls Mechanism - Ashkenazi Et Al. Reply, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb

Physics Articles and Papers

Ashkenazi et al. reply to Original Article: J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, and S. R. Chubb, Ground state of trans-polyacetylene and the Peierls mechanism, Physical Review Letters 62, 2016 (1989).

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Ground State Of Trans-Polyacetylene And The Peierls Mechanism - Errata, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb Jan 1989

Ground State Of Trans-Polyacetylene And The Peierls Mechanism - Errata, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb

Physics Articles and Papers

Errata to Original Article: J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, and S. R. Chubb, Ground state of trans-polyacetylene and the Peierls mechanism, Physical Review Letters, 62, 2016 (1989).

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Ground State Of Trans-Polyacetylene And The Peierls Mechanism, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb Jan 1989

Ground State Of Trans-Polyacetylene And The Peierls Mechanism, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb

Physics Articles and Papers

It is shown formally that the Peierls expression is inadequate for studying the instabilities of a physically realizable one-dimensional chain of atoms, due to the long-range nature of the Coulomb interaction. Detailed total-energy studies of trans-polyacetylene, for both suggested crystal structures (P21/n,P21/a) and for the one-dimensional chain, establish that no appreciable total-energy minimum occurs for nonzero dimerization amplitude within the local-density approximation. The measured dimerization is discussed within the context of recent models of electron correlation.

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