Mn2 dimers encapsulated in silicon cages: a complex challenge to MC-SCF theory
<div>MC-SCF wavefunctions for three endohedral Mn/Si clusters, Mn<sub>2</sub>Si<sub>10</sub>, Mn<sub>2</sub>Si<sub>12</sub>, and [Mn<sub>2</sub>Si<sub>13</sub>]<sup>+</sup>, show evidence for strong static corr...
Main Authors: | Khanna, V, McGrady, JE |
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Format: | Journal article |
Language: | English |
Published: |
MDPI
2022
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