| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386706 | Chemical Physics Letters | 2009 | 6 Pages |
Abstract
Six singlet excitation energies (in eV) of the benzene molecule calculated with the 6-31+G(dâ²) basis set. The dressing of the second-order self-energy shifts is utilized for the orbital relaxation term and also the differential correlation energy term in the method of configuration interaction singles and perturbative doubles, known as CIS(D). For the latter contribution, the partial renormalization technique is employed additionally. These modifications provide some improvements over the original CIS(D) method.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Yuji Mochizuki,