Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference20 articles.
1. Polyatomic scattering integrals with gaussian orbitals
2. Low-energye−-H2elastic cross sections using discrete basis functions
3. Discrete-basis-function approach to electron-molecule scattering
4. Accurate molecular integrals and energies using combined plane wave and Gaussian basis sets in molecular electronic structure theory
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2. The accuracy of the Gaussian-and-finite-element-Coulomb (GFC) method for the calculation of Coulomb integrals;The Journal of Chemical Physics;2013-08-07
3. A divide and conquer real-space approach for all-electron molecular electrostatic potentials and interaction energies;The Journal of Chemical Physics;2012-06-07
4. Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition;The Journal of Chemical Physics;2012-03-21
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