| Автор | J A Richards |
| Автор | F P Larkins |
| Дата выпуска | 1984-03-28 |
| dc.description | A direct fully numerical method for the generation of molecular continuum wavefunctions is presented. The general approach represents a major extension of procedures which are well established for atomic systems. The 1 sigma <sub>g</sub> photoionisation cross section for the hydrogen molecule is reported using a relaxed Hartree-Fock potential for the molecular ion core determined from a (15s, 10p) uncontracted Gaussian bound-state calculation. Good agreement with experiment is reported to within 6 eV of threshold. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Molecular photoionisation calculations with numerical continuum wavefunctions: application to the hydrogen molecule |
| Тип | paper |
| DOI | 10.1088/0022-3700/17/6/015 |
| Print ISSN | 0022-3700 |
| Журнал | Journal of Physics B: Atomic and Molecular Physics |
| Том | 17 |
| Первая страница | 1015 |
| Последняя страница | 1026 |
| Аффилиация | J A Richards; Dept. of Chem., Monash Univ., Clayton, Vic., Australia |
| Аффилиация | F P Larkins; Dept. of Chem., Monash Univ., Clayton, Vic., Australia |
| Выпуск | 6 |
