Real space electrostatics for multipoles. I. Development of methods
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Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors.Crack nucleation criterion and its application to impact indentation in glasses.Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations.Real space electrostatics for multipoles. III. Dielectric properties.The many-body expansion combined with neural networks.Real space electrostatics for multipoles. II. Comparisons with the Ewald sum.
P2860
Real space electrostatics for multipoles. I. Development of methods
description
article
@en
im Oktober 2014 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в жовтні 2014
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name
Real space electrostatics for multipoles. I. Development of methods
@en
Real space electrostatics for multipoles. I. Development of methods
@nl
type
label
Real space electrostatics for multipoles. I. Development of methods
@en
Real space electrostatics for multipoles. I. Development of methods
@nl
prefLabel
Real space electrostatics for multipoles. I. Development of methods
@en
Real space electrostatics for multipoles. I. Development of methods
@nl
P2860
P356
P1476
Real space electrostatics for multipoles. I. Development of methods
@en
P2093
Kathie E Newman
Madan Lamichhane
P2860
P304
P356
10.1063/1.4896627
P407
P50
P577
2014-10-01T00:00:00Z