Size-extensive effective hamiltonian formalisms using quasi-Hilbert and quasi-Fock space strategies with incomplete model spaces

Molecular applications of size-extensive

Molecular applications of size-extensive quasi-Hilbert- and quasi-Fock-space coupled-cluster formalisms using incomplete model spaces

✍ Debasis Mukhopadhyay Jr.; Debashis Mukherjee 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 553 KB

In this paper, we report the first numerical applications of the size-extensive quasi-Hilbert-and quasi-Foek-space coupledcluster theories, developed by us recently, to the ground and the first excited '% states of the molecule LiH. Unlike the corresponding Fock-space theories, there is no need to s