𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of prediction error variances using sparse matrix methods

✍ Scribed by R. Thompson; N. R. Wray; R. E. Crump


Book ID
115143967
Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
552 KB
Volume
111
Category
Article
ISSN
0931-2668

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Use of STOs in Hartree-Fock calculations
✍ Kennedy, H. L.; Zhao, Y. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 194 KB πŸ‘ 2 views

In this study it is demonstrated that STO Slater-type orbital basis sets are particularly well suited to pseudospectral Hartree᎐Fock Ž . calculations. The reduction of two-electron integrals, to ones that are at worst equivalent to a one-electron integral over three centers, eliminates the need for

Calculation of clustered eigenvalues of
✍ BesalοΏ½, Emili; Bofill, Josep Maria πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 179 KB πŸ‘ 2 views

The autoadjusting perturbation theory method is presented and developed to calculate eigenpairs of a square matrix. The procedures to simultaneously compute a cluster of eigenpairs by variance minimization are also given. Finally, numerical examples are reported.