Bases of atomic functions used
Quantum Chemistry Methods
Article REF: AF6050 V2
Bases of atomic functions used
Quantum Chemistry Methods

Authors : Ghania BOUCEKKINE, Abdou BOUCEKKINE

Publication date: January 10, 2017 | Lire en français

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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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3.1.1 Slater functions

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