Lower Bounds for Energy Levels of Molecular Systems
- 1 September 1963
- journal article
- research article
- Published by AIP Publishing in Journal of Mathematical Physics
- Vol. 4 (9) , 1147-1153
- https://doi.org/10.1063/1.1704045
Abstract
It is shown that the Hamiltonian H for a molecule in which the nuclei are regarded as fixed has the form H = Σ Hα + H′, where H′ is positive and each Hα has known eigenvalues and eigenvectors. A procedure is developed for the calculation of lower bounds to the eigenvalues of H. The optimization of the procedure and the existence of the eigenvalues are discussed.Keywords
This publication has 3 references indexed in Scilit:
- Lower Bounds for Eigenvalues of Schrödinger's EquationPhysical Review B, 1961
- Truncations in the method of intermediate problems for lower bounds to eigenvaluesJournal of Research of the National Bureau of Standards Section B Mathematics and Mathematical Physics, 1961
- On the existence of solutions of the helium wave equationTransactions of the American Mathematical Society, 1951