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3. Bases of atomic functions used
3.1 Slater orbitals and Gaussian orbitals
Two types of atomic function can be used to express molecular orbitals (21) : Slater functions, more commonly known as STO (Slater Type Orbital) and Gaussian functions, known as GTO (Gaussian Type Orbital).
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Bases of atomic functions used
Bibliography
Websites
Database of Gaussian functions for use in quantum chemistry http://bse.pnl.gov/bse/portal
Molden software http://www.cmbi.ru.nl/molden
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