ALFREDO
SANCHEZ DE MERAS
CATEDRÁTICO/A DE UNIVERSIDAD
Norwegian University of Science and Technology
Trondheim, NoruegaPublicaciones en colaboración con investigadores/as de Norwegian University of Science and Technology (14)
2014
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Multi-level coupled cluster theory
Journal of Chemical Physics, Vol. 141, Núm. 22
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The Dalton quantum chemistry program system
Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Núm. 3, pp. 269-284
2011
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Cholesky decomposition techniques in electronic structure theory
Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 301-343
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The CCSD(T) model with Cholesky decomposition of orbital energy denominators
International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 349-355
2010
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Cholesky decomposition-based definition of atomic subsystems in electronic structure calculations
Journal of Chemical Physics, Vol. 132, Núm. 20
2008
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Accurate ab initio density fitting for multiconfigurational self-consistent field methods
Journal of Chemical Physics, Vol. 129, Núm. 2
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Method specific Cholesky decomposition: Coulomb and exchange energies
Journal of Chemical Physics, Vol. 129, Núm. 13
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Variation of polarizability in the [4n + 2] annulene series: From [22]- to [66]-annulene?
Physical Chemistry Chemical Physics, Vol. 10, Núm. 3, pp. 361-365
2007
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Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes
Chemical Physics Letters, Vol. 441, Núm. 4-6, pp. 332-335
2006
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Carbon nanorings: A challenge to theoretical chemistry
ChemPhysChem, Vol. 7, Núm. 12, pp. 2503-2507
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Fast noniterative orbital localization for large molecules
Journal of Chemical Physics, Vol. 125, Núm. 17
2004
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Origin invariant calculation of optical rotation without recourse to London orbitals
Chemical Physics Letters, Vol. 393, Núm. 4-6, pp. 319-326
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Polarizabilities of small annulenes from Cholesky CC2 linear response theory
Chemical Physics Letters, Vol. 390, Núm. 1-3, pp. 170-175
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Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using cholesky decompositions
Journal of Chemical Physics, Vol. 120, Núm. 19, pp. 8887-8897