Article ID Journal Published Year Pages File Type
5374075 Chemical Physics 2013 7 Pages PDF
Abstract
► The achievement of CAMB3LYP functional for excited states in framework of TD-DFT. ► Relativistic 4-components calculations for the excited states of the Cd2 dimer. ► Relativistic Spin-Free calculations for the excited states of Cd2 dimer. ► A comparison of the achievements of different types of DFT approximations upon Cd2.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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