Mn2 dimers encapsulated in silicon cages: a complex challenge to MC-SCF theory

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...

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Bibliographic Details
Main Authors:	Khanna, V, McGrady, JE
Format:	Journal article
Language:	English
Published:	MDPI 2022

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