Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference44 articles.
1. Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains
2. Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems
3. Current-Dependent Exchange-Correlation Potential for Dynamical Linear Response Theory
4. Ultranonlocality in Time-Dependent Current-Density-Functional Theory: Application to Conjugated Polymers
5. Application of time-dependent current-density-functional theory to nonlocal exchange-correlation effects in polymers
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