Article ID Journal Published Year Pages File Type
5379188 Chemical Physics Letters 2016 6 Pages PDF
Abstract

- We used two-component relativistic TDDFT based on Tamm-Dancoff approximation.
- The effect of conjugation length against spin-forbidden transitions was examined.
- The quantum chemical program package ntchem was used.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical study on spin-forbidden transitions of osmium complexes by two-component relativistic time-dependent density functional theory
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