Basis set limit Hartree–Fock and density functional theory response property evaluation by multiresolution multiwavelet basis
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2955730
Reference33 articles.
1. Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems
2. Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains
3. Polarizability and second hyperpolarizability evaluation of long molecules by the density functional theory with long-range correction
4. Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn–Sham method
5. Study of the density-gradient expansion for the exchange energy
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