Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Stable leading subspace

Instead of working in a stable subspace of (i.e. in a basis of lOp determinants), one may work in a basis of a rather limited number of configurations, those which play a major role in the adiabatic eigenfunctions of interest, and build an effective electronic Hamiltonian in this model space. For instance, for the curve crossing between the ionic and neutral configuration in NaCl, one may define as a model space the two leading configurations... [Pg.350]


See other pages where Stable leading subspace is mentioned: [Pg.9]    [Pg.289]    [Pg.205]    [Pg.82]    [Pg.335]    [Pg.212]   
See also in sourсe #XX -- [ Pg.46 ]




SEARCH



Lead, stable

Leading stable

Leading subspace

Stable subspace

© 2024 chempedia.info