Mostrando 10 resultados de: 34
Filtros aplicados
Publisher
International Journal of Quantum Chemistry(9)
Journal of Molecular Structure: THEOCHEM(4)
Advances in Quantum Chemistry(3)
Physical Review A(3)
The Journal of Chemical Physics(3)
Área temáticas
Química física(23)
Física moderna(8)
Química analítica(5)
Matemáticas(3)
Química inorgánica(3)
Área de conocimiento
Química teórica(25)
Mecánica cuántica(8)
Teoría del funcional de la densidad(7)
Optimización matemática(5)
Ciencia de materiales(4)
Exact analytic total energy functional for Hooke's atom generated by local-scaling transformations
Conference ObjectAbstract: An analytic closed form for the total energy density functional for Hooke's atom - an artificial twoPalabras claves:DFT, Hooke's atom, Local-scaling transformations, LS-DFTAutores:Eduardo V. Ludeña, Gómez D., Karasiev V.V., Nieto P.Fuentes:scopusExact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses
ArticleAbstract: A Hookean model of a three-body problem for particles with arbitrary masses and charges where two ofPalabras claves:Autores:Echevarría L., Eduardo V. Ludeña, Lopez X., Ugalde J.M.Fuentes:scopusFormulation of N- and v-representable density-functional theory. II. Spin-dependent systems
ArticleAbstract: The local-scaling transformation version of density-functional theory is extended to the case of spiPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusFormulation of N- and υ-representable density functional theory. III: Excited states
ArticleAbstract: The local-scaling transformation version of density functional theory is extended to the treatment oPalabras claves:Autores:Eduardo V. Ludeña, Koga T., Kryachko E.S.Fuentes:scopusDensity Matrix Foundations of Density Functional Theory: The Importance of Pure-State N-Representability In the Derivation of Extended Kohn-Sham Equations
ArticleAbstract: Within the context of a density matrix approach based on the 1-matrix, where pure-state N-representaPalabras claves:Autores:Eduardo V. Ludeña, Keller J.Fuentes:scopusDensity functional theory formalism
ArticleAbstract: A derivation and formulation of density functional theory, which eliminates the formal and practicalPalabras claves:Autores:Eduardo V. Ludeña, Keller J.Fuentes:scopusDensity functional theory: Foundations reviewed
ReviewAbstract: Guided by the above motto (quotation), we review a broad range of issues lying at the foundations ofPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S.Fuentes:scopusCondensed matter theories
BookAbstract: The orientation and physical context of the CMT Series of Workshops have always been cross-disciplinPalabras claves:Autores:Bishop R., Eduardo V. Ludeña, Peter Darwin Iza ToapantaFuentes:scopusA DFT variational approach to Hooke's atom based on local-scaling transformations
Conference ObjectAbstract: The local-scaling transformation version of density functional theory, LS-DFT, is employed in orderPalabras claves:density functional theory, Hooke's atom, Local-scaling transformationsAutores:Artemyev A., Eduardo V. Ludeña, Karasiev V.V.Fuentes:scopusA general justification for hybrid functionals in DFT by means of linear response theory
ArticleAbstract: In the present work, resorting to linear response theory, we examine the plausibility of postulatingPalabras claves:DFT, Görling-Levy PT, hybrid functionals, Kohn-Sham PT, linear response, OEPAutores:Eduardo V. Ludeña, Fernando Javier Torres, Luis RinconFuentes:googlescopus