Albert Lichanot
University of Pau and Pays de l'Adour
43 Papers
459 Citations
Albert Lichanot is an academic researcher from University of Pau and Pays de l'Adour. The author has contributed to research in topics: Ab initio & Hartree–Fock method. The author has an hindex of 16, co-authored 43 publications.
Chat about Author
Papers
Elastic constants and electronic structure of alkaline-earth chalcogenides. Performances of various hamiltonians
F Marinelli,Albert Lichanot +1 more
TL;DR: In this paper, the elastic constants and electronic structure of alkaline-earth chalcogenides MX (Mg, Ca, O, S) were investigated at the quantum mechanical level with the periodic C rystal 98 program.
86
Structural and vibrational properties of solid Mg(OH)2 and Ca(OH)2 – performances of various hamiltonians
TL;DR: In this paper, the authors investigated the layered minerals brucite Mg(OH)2 and portlandite Ca(OH), using the periodic C rystal 98 program and an all-electron Gaussian-type basis set.
77
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.
55
Electronic structure of α-MnS (alabandite): an ab initio study
TL;DR: In this article, the structural, electronic and magnetic properties of α-MnS were investigated using an ab initio periodic linear combination of atomic orbitals self-consistent field approach.
41
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.
35