methods to distribute a set of objects into a set of groups. Among these methods, hierarchical clustering gives the We present an implementation of hierarchical clustering methods to distribute a set of objects into a set of groups. Our code is particu-clearest insight into the structure of a clust
Implementation of a stationary coupled-cluster response method
β Scribed by Keya B. Ghose; Priya G. Nair; Sourav Pal
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 422 KB
- Volume
- 211
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The convergence of an iterative matrix-oriented coupled cluster approach is investigated and compared with a more recent implementation. Where the reference wavefunction dominates, the special features of the matrix-oriented implementation result in rapid convergence.
It is proposed that the calculation of non-dynamical electronic correlation effects by the complete active space self-consistent field (CASSCF) method can be extended by the inclusion of dynamical correlation effects through the use of a suitably modified single-reference coupled-cluster (CC) proced
Coupled-cluster singles and doubles linear response (CCLR) calculations have been presented for frequency-dependent dipole polarizabilities and the results compared with the results from a CI-like approach to the equation of motion (EOMCC). The frequency-dependent polarizabilities are similar in the