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Efficient calculation of derivatives of integrals in a basis of non-separable Gaussians
by
Desmarais, Jacques K
,
De Frenza
,
Alessandro
,
Erba, Alessandro
Published in
The Journal of chemical physics
(21.04.2023)
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Efficient Calculation of Derivatives of Integrals in a Basis of Non-Separable Gaussians Through Exploitation of Sparsity
by
Desmarais, Jacques K
,
De Frenza
,
Alessandro
,
Erba, Alessandro
Published in
arXiv.org
(13.02.2023)
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physics
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chemistry
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basis functions
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computer algebra
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copper
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crystal lattices
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derivatives
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displacements
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