| Автор | M H Lloyd |
| Автор | L M Delves |
| Дата выпуска | 1968-07-01 |
| dc.description | The least-squares method for finding the eigenvalues of the Schrödinger equation has the conceptual and practical advantage that it does not require the evaluation of integrals such as (ψ, Hψ) as does the variational method. In this paper we consider the evaluation of the expected value <Q> = (ψ, Qψ)/(ψ, ψ) of an arbitrary Hermitian operator Q. We give a least-squares method for the evaluation of <Q> which also does not involve the evaluation of any integrals. The method is illustrated with calculations for the expectation values of a number of operators over the ground state of the helium atom, using a mesh containing only 126 points. The relative accuracy obtained varies between 10<sup>-4</sup> and 10<sup>-6</sup>. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | The least-squares calculation of the expectation values of arbitrary operators |
| Тип | paper |
| DOI | 10.1088/0022-3700/1/4/314 |
| Print ISSN | 0022-3700 |
| Журнал | Journal of Physics B: Atomic and Molecular Physics |
| Том | 1 |
| Первая страница | 632 |
| Последняя страница | 637 |
| Выпуск | 4 |
