Big Chemical Encyclopedia

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

Articles Figures Tables About

Remarks on time-dependent theory

Dirac s development of TDHF theory invokes the Heisenberg equation of motion for the density operator as a basic postulate, [Pg.83]

Equivalently, time-dependent canonical Hartree-Fock equations are assumed to take the same form as the time-dependent Schrodinger equation. [Pg.83]

These concepts, inherent in the TDHF formalism, generalize immediately to orbital functional theory, when electronic correlation energy is included in the model. Given some definition that determines a reference state for any [Pg.83]

Any postulated orbital functional E p, ] defines an action integral, [Pg.83]

Here G = Tt + vc, where H is defined by SEo/niSp = Tipi as in Hartree-Fock theory. vc is defined by the functional derivative = vcpi. If Ec is omitted, the theory reduces to TDHF. [Pg.83]


See other pages where Remarks on time-dependent theory is mentioned: [Pg.83]   


SEARCH



Remarks

Time-dependent theories

© 2024 chempedia.info