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Topic: Numerical Integration

Numerical Integration

Half-Numerical Evaluation of Pseudo-Potential Integrals
R. Flores-Moreno, R.J. Alvarez-Mendez, A.Vela, A.M. Köster
J. Comput. Chem. 27, 1009 (2006)
Efficient and Reliable Numerical Integration of Exchange-Correlation Energies and Potentials
A.M. Köster, R. Flores-Moreno, J.U. Reveles
J. Chem. Phys. 121, 681 (2004)
An Adaptive Numerical Integrator for Molecular Integrals
M. Krack, A.M. Köster
J. Chem. Phys. 108, 3226 (1998)

Last Update: 2nd May 2018