Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids (Q630463)

From MaRDI portal
scientific article
Language Label Description Also known as
English
Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids
scientific article

    Statements

    Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids (English)
    0 references
    0 references
    17 March 2011
    0 references
    Voronoi-cell finite difference
    0 references
    VFD
    0 references
    Schrödinger equation
    0 references
    numerical grid-based method
    0 references
    density-functional theory
    0 references
    DFT
    0 references
    polyatomic molecules
    0 references
    unstructured grids
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references

    Identifiers

    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references
    0 references