Big Chemical Encyclopedia

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

Articles Figures Tables About

Lower bound method semidefinite programming

THE LOWER BOUND METHOD FOR DENSITY MATRICES AND SEMIDEFINITE PROGRAMMING... [Pg.61]

The central problem in electronic structure theory is to determine the ground state of a system of electrons, which is typically done variationally by minimizing the energy. The lower bound method can be invoked to achieve a feth-order approximation by replacing the variation minpgq5 (p,/ )g by the semidefinite program... [Pg.72]

Variational minimization of the energy as a functional of the 2-RDM is expressible as a special convex optimization problem known as a semidefinite program [33, 37, 41,42, 53, 58]. The convexity of the A-representable set of 2-RDMs ensures a rigorous lower bound to the ground-state energy. Because the variational 2-RDM method... [Pg.166]

See other pages where Lower bound method semidefinite programming is mentioned: [Pg.62]    [Pg.63]    [Pg.64]    [Pg.65]    [Pg.67]    [Pg.79]    [Pg.90]    [Pg.23]    [Pg.172]   
See also in sourсe #XX -- [ Pg.62 , Pg.63 , Pg.72 , Pg.73 , Pg.74 ]



SEARCH



BOUND program

Programming Method

Semidefinite programming method

© 2024 chempedia.info