We present a rigorous derivation of classical molecular dynamics (MD) from quantum molecular dynamics (QMD) that applies to the standard Hamiltonians of molecular physics with Coulomb interactions. The derivation is valid away from possible electronic eigenvalue crossings.
Passage from quantum to classical molecular dynamics in the presence of Coulomb interactions
AMBROSIO, Luigi;
2010
Abstract
We present a rigorous derivation of classical molecular dynamics (MD) from quantum molecular dynamics (QMD) that applies to the standard Hamiltonians of molecular physics with Coulomb interactions. The derivation is valid away from possible electronic eigenvalue crossings.File in questo prodotto:
File | Dimensione | Formato | |
---|---|---|---|
afg9.pdf
accesso aperto
Tipologia:
Altro materiale allegato
Licenza:
Solo Lettura
Dimensione
276.84 kB
Formato
Adobe PDF
|
276.84 kB | Adobe PDF |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.