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: | , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
MDPI
2022
|