𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the calculation of combined corrections in the LMTO method

✍ Scribed by A.M. Bratkovsky; S.Yu. Savrasov


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
388 KB
Volume
88
Category
Article
ISSN
0021-9991

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


On the importance of size-consistency co
✍ Dieter Cremer; Walter Thiel πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 268 KB

Energies obtained by configuration interaction calculations including all double excitations with regard to the Hartree-Fock reference determinant can empirically be corrected to size consistency using either the Langhoff-Davidson (LD) formula or a formula suggested by Pople, Seeger, and Krishnan (P

Nonorthogonality corrections in the meth
✍ Eugene Feenberg πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 472 KB

A set of normalized linearly independent basis functions @I) 0, ,..., Q5 ,... generates matrix representatives 2' and Jfr of the Hamiltonian operator and the identity. An orthonormal basis #, , & ,..., 6, ,... generated by a Lijwdin transformation is characterized by the distance in Hilbert space be