Sensitivity of correlation effects and Shannon entropy in Be@C60 to the nature of confinement potentials
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DOI: 10.1088/1402-4896/ac098c
Abstract: The multi-configuration Dirac-Fock (MCDF) method is used to study the correlation effects in Be@C60 by investigating the localization properties of the electronic probability density distribution. The confinement environment is simulated by two types of model… read more here.
Keywords: confinement potentials; confinement; nature; correlation ... See more keywords