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The effect of electrostatic potentials on lithium insertion for perovskite oxides

✍ Scribed by Yue Jin Shan; Yoshiyuki Inaguma; Mitsuru Itoh


Book ID
103576290
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
592 KB
Volume
79
Category
Article
ISSN
0167-2738

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The effect of the inclusion of electron correlation at the MP2 level on the MESP topography is investigated. The change is analyzed in terms of the MESP value as well as eigenvalues at the critical point (CP). The pi-bond and lone-pair minima become more shallow and flat, and all the CPs indicating