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l i, j, k define a Cartesian,
3D linear vector space; 1.0000
formula
l The Fourier series 2nd order fit
4th order fit
constitutes an orthogonal 0
0 1.7500 3.5000 5.2500 7.0000
basis set for periodic theta
functions;
• In quantum chemistry, the “basis set” often refers to
any set of (usually nonorthogonal) one-particle functions
used to build molecular orbitals.
Some of this is from Sherrill’s computational chemistry course at GA Tech.
What are they?
In Quantum Chemistry, various types are used: