We present a formal and numerical comparison between the iterative and matrix-inversion approaches of the polarizable continuum model. The formal analysis shows completely the equivalence of the two approaches. Numerical equivalence is also recovered, introducing in both methods the proper boundary
β¦ LIBER β¦
About the inversion of the correlation matrix in Wiener filtering using wave-theoretical methods
β Scribed by H. J. Butterweck
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 551 KB
- Volume
- 80
- Category
- Article
- ISSN
- 1432-0487
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Remarks on the use of the apparent surfa
β
R. Cammi; J. Tomasi
π
Article
π
1995
π
John Wiley and Sons
π
English
β 761 KB
Perspective on βOn the correlation probl
β
Rodney J. Bartlett
π
Article
π
2000
π
Springer
π
English
β 72 KB
Study of localized molecular orbitals us
β
Taijin Zhou; Aimin Liu
π
Article
π
1994
π
John Wiley and Sons
π
English
β 682 KB
Group theoretic methods are presented for the transformations of integrals and the evaluation of matrix elements encountered in multiconfigurational self-consistent field (MCSCF) and configuration interaction (CI) calculations. The method has the advantages of needing only to deal with a symmetry un