| Автор | C O Rodriguez |
| Автор | K Kunc |
| Дата выпуска | 1989-03-06 |
| dc.description | The behaviour under pressure of the real-space distribution of the electronic charge density of lithium hydride is determined from first principles using the density functional theory, with norm-conserving pseudopotentials and Ceperley-Alder exchange. The influence of zero-point vibrations on the ground-state properties is discussed. The integrated charges surrounding Li and H is determined quantitatively and studied as a function of pressure. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | The pressure variation in the electronic charge density of LiH |
| Тип | paper |
| DOI | 10.1088/0953-8984/1/9/006 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 1 |
| Первая страница | 1601 |
| Последняя страница | 1612 |
| Аффилиация | C O Rodriguez; Lab. de Phys. des Solides CNRS, Univ. Pierre et Marie Curie, Paris, France |
| Аффилиация | K Kunc; Lab. de Phys. des Solides CNRS, Univ. Pierre et Marie Curie, Paris, France |
| Выпуск | 9 |
