Improvement of an integral approximation scheme based on semiorthogonalized orbitals
- 1 May 1980
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 17 (5), 1031-1037
- https://doi.org/10.1002/qua.560170516
Abstract
No abstract availableKeywords
This publication has 7 references indexed in Scilit:
- Ab initio molecular orbital calculations of the cobalt porphine complex. I. LCAO SCF MO calculation of low‐spin, high‐spin, and π‐ionized states of Co‐porphineInternational Journal of Quantum Chemistry, 1978
- Test of an integral approximation scheme based on semiorthogonalized orbitals in LCAO SCF MO CI calculations of naphthaleneInternational Journal of Quantum Chemistry, 1977
- Integral approximations on the basis of semiorthogonalized orbitalsInternational Journal of Quantum Chemistry, 1976
- Charge-conserving integral approximations for ab initio quantum chemistryChemical Physics Letters, 1973
- A generalization of the löwdin orthogonalizationInternational Journal of Quantum Chemistry, 1973
- Gaussian basis sets for the first and second row atomsTheoretical Chemistry Accounts, 1970
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965