J
José M. Soler
Researcher at Autonomous University of Madrid
Publications - 169
Citations - 26404
José M. Soler is an academic researcher from Autonomous University of Madrid. The author has contributed to research in topics: Density functional theory & van der Waals force. The author has an hindex of 53, co-authored 169 publications receiving 23325 citations. Previous affiliations of José M. Soler include International School for Advanced Studies & Massachusetts Institute of Technology.
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Journal Article
Anomalous nuclear quantum effects in ice
TL;DR: The theoretical modeling explains these anomalies, and allows us to predict and to experimentally confirm a counter effect, namely, that replacement of 16O by 18O causes a normal lattice contraction.
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Mixed Approach to Incorporate Self-Consistency into Order-N LCAO Methods
TL;DR: In this paper, the authors present a method for selfconsistent density functional theory calculations in which the effort required is proportional to the size of the system, thus allowing the aplication to problems with a very large size.
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Hollow C 3 N 4 nanoclusters from first principles
TL;DR: In this paper, the authors proposed carbon nitride clusters based on first-principles density functional calculations, which preserve the stoichiometry and coordination of graphite with aromatic rings joined by triply coordinated nitrogen atoms.
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Exchange and correlation as a functional of the local density of states
TL;DR: In this article, a local parametrization scheme based on the decomposition of the exchange-correlation hole in scattering states of different relative energies is proposed, in which the exchange and correlation energy of an electron gas depends on the local density of occupied states.