J
John W. Mintmire
Researcher at Oklahoma State University–Stillwater
Publications - 124
Citations - 7740
John W. Mintmire is an academic researcher from Oklahoma State University–Stillwater. The author has contributed to research in topics: Carbon nanotube & Electronic structure. The author has an hindex of 34, co-authored 124 publications receiving 7458 citations. Previous affiliations of John W. Mintmire include University of Massachusetts Amherst & United States Naval Academy.
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Density-functional study of the mechanical and electronic properties of narrow carbon nanotubes under axial stress
TL;DR: In this paper, the behavior of single-wall carbon nanotubes under uniaxial stress was studied and the change of the band gaps of the chiral tubules under axial stress were investigated.
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Local-density-functional calculation of photoelectron spectra of fullerenes.
TL;DR: A partir des fonctions d'onde a un electron et des valeurs propres de ces materiaux, on calcule les sections efficaces moyennes spheriques pour l'emission des photoelectrons.
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Electronic structure simulations of carbon nanotubes
John W. Mintmire,Carter T. White +1 more
TL;DR: In this article, the optical absorption spectra of several representative nanotubes were calculated using an Ehrenreich-Cohen perturbation-theory approach using the LDF electronic structure results.
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Charge transfer and bonding in metallic oxides
TL;DR: In this article, the authors discuss the development of interaction potentials which explicitly allow for charge transfer in metallic oxides and demonstrate the applicability of the model by describing some preliminary results on the rutile phase of titanium dioxide.
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First-principles calculation of the conformation and electronic structure of polyparaphenylene
TL;DR: In this paper, an all-electron first-principles total energy calculation with Gaussian-type functions for the wave functions, for the exchange correlation potential, and for the charge density has been applied for single chains of polyparaphenylene (PPP).