5. Density Functional Theory (DFT)
The idea of expressing the total energy of a polyelectronic system as a functional of the total electron density was introduced by L.H. Thomas and E. Fermi . Recall that a functional is an application that associates a number with a function. But it wasn't until 1964 that Hohenberg...
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
Density Functional Theory (DFT)
Solvatation, QM/MM calculations and molecular dynamics
Article included in this offer
"Physics and chemistry"
(
203 articles
)
Updated and enriched with articles validated by our scientific committees
A set of exclusive tools to complement the resources
Bibliography
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
