๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Nonempirical parameters of the nonlocal core pseudopotential for the second and third row elements

โœ Scribed by A. S. Meleshkin; O. B. Tomilin; I. I. Amelin

Book ID
110632782
Publisher
SP MAIK Nauka/Interperiodica
Year
1999
Tongue
English
Weight
349 KB
Volume
40
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Improved model core potentials for the s
Improved model core potentials for the second- and third-row transition metals
โœ Christopher C. Lovallo; Mariusz Klobukowski ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 105 KB ๐Ÿ‘ 1 views

## Abstract New nonrelativistic and scalarโ€relativistic pseudopotentials for the secondโ€ and thirdโ€row transition metals have been developed. These improved Model Core Potentials were used in calculations for a variety of transition metal complexes to test their ability to reproduce experimental st

Development of new pseudopotential metho
Development of new pseudopotential methods: Improved model core potentials for the first-row transition metals
โœ Christopher C. Lovallo; Mariusz Klobukowski ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 127 KB ๐Ÿ‘ 1 views

## Abstract We have recently developed new nonrelativistic and scalarโ€relativistic pseudopotentials for the firstโ€row transition metal and several mainโ€group elements. These improved Model Core Potentials were tested on a variety of transition metal complexes to determine their accuracy in reproduc

INDO parameters for the elements of the
INDO parameters for the elements of the I and II transition rows
โœ O. V. Sizova; V. I. Baranovski ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 642 KB

It is shown that with the use of published one-center INDO parameters for transition metals M , it is not possible to reproduce experimental relative energies of the electronic states of M , M', and M 2 + accurately enough. Two new sets of INDO parameters for the elements of the I and I1 transition