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Assessment of Low Scaling Approximations to EOM-CCSD Method for Ionization Potential
- Publication Year :
- 2017
-
Abstract
- In this paper, we investigate the performance of different approximate variants of the EOM-CCSD method for calculation of ionization potential, as compared to EOM-CCSDT reference values. The errors in the various approximate variants of the EOM-CCSD method are quite different for different kind of ionized states. None of the approximate variants including the original EOM-CCSD method gives a uniform performance over outer valence, inner valence, and core ionization, favoring one or other, depending upon nature of the approximation used.
- Subjects :
- Physics - Chemical Physics
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.1708.01293
- Document Type :
- Working Paper