Documentos de Maldonado J.E. | REDI

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Área temáticas: "Química física"

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International Journal of Quantum Chemistry(1)

Journal of Computational Chemistry(1)

Journal of Molecular Structure: THEOCHEM(1)

The Journal of Chemical Physics(1)

Theoretical and Computational Chemistry(1)

Área temáticas

Química analítica(2)

Química inorgánica(2)

Física aplicada(1)

Microorganismos, hongos y algas(1)

Área de conocimiento

Química teórica(4)

Teoría del funcional de la densidad(4)

Optimización matemática(2)

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Exact exchange-only density functional theory by means of local scaling transformations

Abstract: The density-constrained variation of the kinetic energy of a non-interacting system carried out with

Palabras claves:

Eduardo V. Ludeña, López‐boada R., Maldonado J.E.

Local-scaling transformation version of density functional theory: Application to atoms and diatomic molecules

Abstract: Applications of the local-scaling transformation version of density functional theory, LS-DFT, to at

Palabras claves:

Eduardo V. Ludeña, Karasiev V.V., López‐boada R., Maldonado J.E., Valderrama E.

Local-scaling transformations and the direct determination of Kohn-Sham orbitals and potentials for beryllium

Abstract: Local-scaling transformations are used in the present work to obtain accurate Kohn-Sham 1s and 2s or

Palabras claves:

Eduardo V. Ludeña, Koga T., Kryachko E.S., López‐boada R., Maldonado J.E.

Local‐scaling transformation version of density functional theory

Abstract: The local‐scaling transformation version of density functional theory (LS‐DFT) is reviewed. It is sh

Palabras claves:

Eduardo V. Ludeña, Hinze J., Koga T., Kryachko E.S., López‐boada R., Maldonado J.E., Valderrama E.

The local-scaling version of density functional theory: A practical method for rigorous calculations of many-electron systems

Abstract: The local-scaling transformation version of density functional theory is reviewed in the present wor

Palabras claves:

Eduardo V. Ludeña, Hinze J., Koga T., Kryachko E.S., López‐boada R., Maldonado J.E., Valderrama E.