期刊
CHEMICAL PHYSICS LETTERS
卷 378, 期 1-2, 页码 42-46出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0009-2614(03)01181-3
关键词
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Equation-of-motion coupled-cluster theory in a 2h and 3h - p-like TDA approach has been utilized to determine properties of the ground state of ozone (O-3). many of the values produced with this scheme are better than those obtained with other approaches with similar computational scaling properties. (C) 2003 Elsevier B.V. All rights reserved.
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