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| Author | Nikolaev, A.V.; Michel, K.H. | ||||
| Title | Molecular terms and optical transitions of C60n+/- molecular ions | Type | P1 Proceeding | ||
Year  |
2002 | Publication | AIP conference proceedings T2 – 16th International Winterschool on Electronic Properties of Novel, Materials, MAR 02-09, 2002, KIRCHBERG, AUSTRIA | Abbreviated Journal | |
| Volume | Issue | Pages | 417-420 | ||
| Keywords | P1 Proceeding; Condensed Matter Theory (CMT) | ||||
| Abstract | We have studied the molecular energy terms of the hole configurations (h(u)(+))(m), m=2,3,4,5 of C-60(m+) cations and the electronic configurations (t(1u))(n) n=2,3,4, as well as (t(1u))(n-1)t(1g) of the C-60(n-) anions. The lowest terms (within an energy span of 0.03 eV) for C-60(2+) are three triplets T-3(1g), (3)G(g), T-3(2g) and for C-60(3+) are three quartets T-4(1u), (4)G(u), T-4(2u), which favor Jahn-Teller distortions. For the ground state of C-60(2-) we find a triplet T-3(1g) in agreement with Hund's rules. Our method takes into account intramolecular direct and exchange multipolar Coulomb interactions. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | 633 | Series Issue | Edition | ||
| ISSN | 0-7354-0088-1 | ISBN | Additional Links | UA library record; WoS full record; | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:103905 | Serial | 2187 | ||
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