Big Chemical Encyclopedia

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

Articles Figures Tables About

Path integral Monte Carlo thermodynamic properties

ADAPTIVE PATH-INTEGRAL MONTE CARLO METHODS FOR ACCURATE COMPUTATION OF MOLECULAR THERMODYNAMIC PROPERTIES... [Pg.117]

The formulas just developed are clearly relevant to quantum dynamics, but their relevance to the Monte Carlo computation of molecular thermodynamic properties has not yet been developed. It turns out that we can develop a theory of quantum statistical mechanics [33] that is completely analogous to the Feynman path-integral version of quantum dynamics. [Pg.126]

See other pages where Path integral Monte Carlo thermodynamic properties is mentioned: [Pg.141]    [Pg.170]    [Pg.177]    [Pg.120]    [Pg.164]    [Pg.136]    [Pg.366]    [Pg.347]    [Pg.118]    [Pg.121]    [Pg.162]    [Pg.118]    [Pg.381]   


SEARCH



Integral property

Integration thermodynamic

Path integral Monte Carlo (

Path integrals integral

Path, thermodynamic

Property integration

© 2024 chempedia.info