Recurrence relations for the expansion of Slater-type orbitals about displaced centers
Rico, J. Fernández ; López, R.
College Park, Md. : American Institute of Physics (AIP)
Published 1986
College Park, Md. : American Institute of Physics (AIP)
Published 1986
| ISSN: |
1089-7690
|
|---|---|
| Source: |
AIP Digital Archive
|
| Topics: |
Physics
Chemistry and Pharmacology
|
| Notes: |
We show here that the coefficients for the expansion of any Slater-type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities.
|
| Type of Medium: |
Electronic Resource
|
| URL: |
| _version_ | 1798289756297101313 |
|---|---|
| autor | Rico, J. Fernández López, R. |
| autorsonst | Rico, J. Fernández López, R. |
| book_url | http://dx.doi.org/10.1063/1.451551 |
| datenlieferant | nat_lic_papers |
| hauptsatz | hsatz_simple |
| identnr | NLZ218940203 |
| issn | 1089-7690 |
| journal_name | The Journal of Chemical Physics |
| materialart | 1 |
| notes | We show here that the coefficients for the expansion of any Slater-type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities. |
| package_name | American Institute of Physics (AIP) |
| publikationsjahr_anzeige | 1986 |
| publikationsjahr_facette | 1986 |
| publikationsjahr_intervall | 8014:1985-1989 |
| publikationsjahr_sort | 1986 |
| publikationsort | College Park, Md. |
| publisher | American Institute of Physics (AIP) |
| reference | 85 (1986), S. 5890-5894 |
| search_space | articles |
| shingle_author_1 | Rico, J. Fernández López, R. |
| shingle_author_2 | Rico, J. Fernández López, R. |
| shingle_author_3 | Rico, J. Fernández López, R. |
| shingle_author_4 | Rico, J. Fernández López, R. |
| shingle_catch_all_1 | Rico, J. Fernández López, R. Recurrence relations for the expansion of Slater-type orbitals about displaced centers We show here that the coefficients for the expansion of any Slater-type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_2 | Rico, J. Fernández López, R. Recurrence relations for the expansion of Slater-type orbitals about displaced centers We show here that the coefficients for the expansion of any Slater-type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_3 | Rico, J. Fernández López, R. Recurrence relations for the expansion of Slater-type orbitals about displaced centers We show here that the coefficients for the expansion of any Slater-type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_4 | Rico, J. Fernández López, R. Recurrence relations for the expansion of Slater-type orbitals about displaced centers We show here that the coefficients for the expansion of any Slater-type function over a displaced center can be obtained by three simple (and numerically stable) recurrence relations starting at the expansion coefficients of the 1s or 2s orbitals. We present also compact (and very fast to compute) formulas for these initial quantities. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_title_1 | Recurrence relations for the expansion of Slater-type orbitals about displaced centers |
| shingle_title_2 | Recurrence relations for the expansion of Slater-type orbitals about displaced centers |
| shingle_title_3 | Recurrence relations for the expansion of Slater-type orbitals about displaced centers |
| shingle_title_4 | Recurrence relations for the expansion of Slater-type orbitals about displaced centers |
| sigel_instance_filter | dkfz geomar wilbert ipn albert |
| source_archive | AIP Digital Archive |
| timestamp | 2024-05-06T08:05:53.790Z |
| titel | Recurrence relations for the expansion of Slater-type orbitals about displaced centers |
| titel_suche | Recurrence relations for the expansion of Slater-type orbitals about displaced centers |
| topic | U V |
| uid | nat_lic_papers_NLZ218940203 |