C. Larrieu
University of Pau and Pays de l'Adour
17 Papers
201 Citations
C. Larrieu is an academic researcher from University of Pau and Pays de l'Adour. The author has contributed to research in topics: Ab initio & Ab initio quantum chemistry methods. The author has an hindex of 12, co-authored 17 publications.
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Papers
Ab initio Hartree-Fock study of solid beryllium oxide: structure and electronic properties
TL;DR: In this paper, the beryllium oxide has been studied at the ab initio periodic Hartree-Fock LCAO level using the CRYSTAL program.
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Theoretical study of nitrous acid electronic spectrum and photofragmentation
TL;DR: In this paper, the first eight excited states of nitrous acid were calculated using a Dunning basis; a large CI was performed with the CIPSI algorithm, and potential energy curves have been calculated for the two OH and H coplanar ruptures.
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Hartree-fock ab initio study of relaxation and electronic structure of lithium oxide slabs
TL;DR: In this paper, a contract basis set was used to simulate the surface formation energy of a semi-infinite Li2O crystal and its electronic properties, band structure, density of states and orbital populations were established.
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Theoretical study of the photochemical fragmentation of methanethiol
TL;DR: An ab initio theoretical study was undertaken on the photochemical process of CH3SH dissociation as mentioned in this paper, where the potential energy surfaces have been calculated for the SH and CH fragmentations according to a coplanar abstraction model.
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