Core and repulsion integrals for Löwdin orthogonalized atomic orbitals in pi-electron systems
Open Access
- 1 January 1965
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 10 (1) , 67-71
- https://doi.org/10.1080/00268976600100081
Abstract
The core integrals and electron repulsion integrals for the 2pπ Slatertype orbitals of the allyl radical and benzene molecule have been transformed to the corresponding Löwdin orthogonalized basis set of atomic orbitals. After the transformation all the multi-centre non-Coulomb repulsion integrals are found to be very small.Keywords
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