✦ LIBER ✦

A general program for computing angular integrals of the non-relativistic Hamiltonian with non-orthogonal orbitals

✍ Scribed by Alan Hibbert; Charlotte Froese Fischer

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 765 KB
Volume: 64
Category: Article
ISSN: 0010-4655
DOI: 10.1016/0010-4655(91)90136-9

No coin nor oath required. For personal study only.

✦ Synopsis

The MCHF -NONH program performs the angular integrations necessary for expressing the matrix elements of the non-relativistic Hamiltonian as linear combinations of Slater integrals and kinetic integrals. All matrix elements for a given list of configuration states may be evaluated or certain subsets. A limited amount of non-orthogonality between the orbitals may be present leading to overlap integrals in the expressions for the matrix elements.

📜 SIMILAR VOLUMES

A general program for computing angular

A general program for computing angular integrals of the Breit-Pauli Hamiltonian

✍ Alan Hibbert; Robert Glass; Charlotte Froese Fischer 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 967 KB

The MCHF BREIT program performs the angular integrations necessary for expressing the matrix elements of the Breit-Pauli Hamiltonian (except for the orbit-orbit operator) as linear combinations of radial integrals. All matrix elements for a given list of configuration states may be evaluated or sele