Core and repulsion integrals for Löwdin orthogonalized atomic orbitals in pi-electron systems
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268976600100081
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1. Core integrals of 2pπ-electron evaluated from heisenberg's equation of motion;International Journal of Quantum Chemistry;2009-06-18
2. Development of Sindo1 for Extended Systems;Cluster Models for Surface and Bulk Phenomena;1992
3. Analysis of the true parameters in the correlated effective valence shell Hamiltonian of Li2 and comparison with semiempirical parameters;The Journal of Chemical Physics;1984-04
4. SINDO1. A semiempirical SCF MO method for molecular binding energy and geometry I. Approximations and parametrization;Theoretica Chimica Acta;1980
5. Resonance integrals in semi-empirical MO theories;Chemical Physics Letters;1978-03
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