Double asymptotic expansion of three-center electronic repulsion integrals.
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QM/MM calculations with deMon2k.Phosphorylation promotes Al(iii) binding to proteins: GEGEGSGG as a case study.Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory.Efficient evaluation of three-center Coulomb integrals.Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution.Analytic second derivatives from auxiliary density perturbation theory.Robust and efficient variational fitting of Fock exchange.Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.
P2860
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P2860
Double asymptotic expansion of three-center electronic repulsion integrals.
description
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name
Double asymptotic expansion of three-center electronic repulsion integrals.
@en
Double asymptotic expansion of three-center electronic repulsion integrals.
@nl
type
label
Double asymptotic expansion of three-center electronic repulsion integrals.
@en
Double asymptotic expansion of three-center electronic repulsion integrals.
@nl
prefLabel
Double asymptotic expansion of three-center electronic repulsion integrals.
@en
Double asymptotic expansion of three-center electronic repulsion integrals.
@nl
P2860
P356
P1476
Double asymptotic expansion of three-center electronic repulsion integrals.
@en
P2093
A Alvarez-Ibarra
A M Köster
P2860
P304
P356
10.1063/1.4812183
P407
P577
2013-07-01T00:00:00Z