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Electron Propagator Calculations on the Ground and Excited States of C 60–

✍ Scribed by Zakrzewski, V. G.; Dolgounitcheva, O.; Ortiz, J. V.

Book ID
126593178
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
213 KB
Volume
118
Category
Article
ISSN
1089-5639

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Ground and excited states of CaSH throug
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Electron propagator calculations of electron afftnities of CaSH+ produce ground and excited state energies at the optimized, C, minimum of the neutral ground state and at a C,, geometry. Feynman-Dyson amplitudes ( FDAs) describe the distribution of the least bound electron in various states. The neu

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✍ J.V. Ortiz 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 415 KB

The vertical electron detachment energy of Cc and the adiabatic electron affinity of Cs are calculated with ab initio electron propagator methods. The former energy difference is 2.86 eV and the latter is 2.82 eV. These values are in close agreement with recent experimental determinations. Structura