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List of works by Alfredo M.J. Sánchez De Merás

Accurate ab initio density fitting for multiconfigurational self-consistent field methods

scientific article published in July 2008

Coupled cluster calculations of interaction energies in benzene–fluorobenzene van der Waals complexes

Fast noniterative orbital localization for large molecules

scientific article published in November 2006

Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations

scientific article

Origin invariant calculation of optical rotation without recourse to London orbitals

Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions

scientific article published in May 2004

Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks

article

Reduced scaling in electronic structure calculations using Cholesky decompositions

The CCSD(T) model with Cholesky decomposition of orbital energy denominators

The Dalton quantum chemistry program system

scientific article (publication date: May 2014)

Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene

scientific article published on 7 November 2007

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