Molecular integrals over the gauge-including atomic orbitals
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1545776
Reference12 articles.
1. A direct implementation of the GIAO-MBPT(2) method for calculating NMR chemical shifts. Application to the naphthalenium and anthracenium ions
2. A direct implementation of the GIAO-MBPT(2) method for calculating NMR chemical shifts. Application to the naphthalenium and anthracenium ions
3. Formulation of molecular integrals over Gaussian functions treatable by both the Laplace and Fourier transforms of spatial operators by using derivative of Fourier‐kernel multiplied Gaussians
4. Accompanying coordinate expansion formulas derived with the solid harmonic gradient
5. ACE algorithm for the rapid evaluation of the electron-repulsion integral over Gaussian-type orbitals
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