Big Chemical Encyclopedia

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

Articles Figures Tables About

LMTO and Cholesky Decomposition

The LMTO eigenvalue problem is a generalised eigenvalue problem of the form [Pg.170]

Since the overlap matrix is positive definite a matrix L exists which is non-singular and lower triangular such that [9.3] [Pg.170]

If a decomposition in partial waves is wanted, the eigenvectors x of the original problem (9.11) must be evaluated from [Pg.171]


See other pages where LMTO and Cholesky Decomposition is mentioned: [Pg.170]   


SEARCH



And decomposition

Cholesky decomposition

LMTOs

© 2024 chempedia.info