|
|||||
|
|
Calculation of localised molecular orbitals with the Foster—Boys criterion |
|
| Authors: | Robert C. Haddon Geoffrey R.J. Williams |
| Affiliation: | Research School of Chemistry, Australian National University, Canberra, A.C.T. 2600, Australia |
| Abstract: | The methods suggested by Barr and Basch to improve the convergence behaviour of localization methods are tested within the framework of the Foster—Boys criterion. |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ | |