An application of the intermediate Hamiltonian method is reported in estimation of the lower bounds to the potential energy curve of the hydrogen molecule ion. An improvement of the method and its limitation are also discussed.
An alternative formalism for the method of intermediate Hamiltonians
โ Scribed by R. A. Sack
- Publisher
- John Wiley and Sons
- Year
- 1972
- Tongue
- English
- Weight
- 509 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
โฆ Synopsis
Abstract
The methods of intermediate Hamiltonians and of inner projections for the determination of lower bounds of eigenvalues of a Hermitian operator H are analysed and reformulated as linear matrix problems. Submatrices T which are only defined implicitly through the product TT^dฬ^ are best represented in triangular form. If the subspace complementary to the subspace determining the inner projection can be subdivided with different lower bounds for H, the bounds for the eigenvalues can be further improved. The new formalism is applied to obtain crude lower bounds for the ground state of the helium atom, using only 2 ร 2 and 3 ร 3 matrices.
๐ SIMILAR VOLUMES
We suggest a new difference scheme for dealing with contact nonlinear Hamiltonians. The scheme has two parts. First, the system is transformed to the interaction picture of quantum mechanics using the time-independent Hamiltonian H 0 . This reduces the problem to a system of ordinary differential eq