Generalization of the fourth-order Hylleraas functional form have been performed for the case of non-Hermitian operators. Our new formulas are relevant when the Hermitian Born-Oppenheimer Hamiltonian is decomposed into a non-Hermitian unperturbed part and also a non-Hermitian perturbation. The results can be used to develop BSSE-free intermolecular perturbation theory up to fourth-order.
|Number of pages||5|
|Journal||Journal of Mathematical Chemistry|
|Publication status||Published - Oct 1 1999|
ASJC Scopus subject areas
- Applied Mathematics