| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384014 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠For the first time two noniterative approaches for dipole-quadrupole polarizability are studied. ⺠One is auxiliary density pertubation theory (ADPT). ⺠Other is noniterative approximation to coupled perturbed Kohn-Sham (NIACPKS) method. ⺠NIACPKS is implanted in framework of SCP for the first time in this Letter. ⺠Validation of method done with dipole-quadrupole polarizability of P4, CH4, C10H16.
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Authors
Sapana V. Shedge, Sourav Pal, Andreas M. Köster,