English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Semiclassical approximations for quantum dynamic simulations in complexchemical systems range from rigorously accurate methods that arecomputationally expensive to methods that exhibit near-classical scaling withsystem size but are limited in their ability to describe quantum effects. Inpractical studies of high-dimensional reactions, neither extreme is the bestchoice: frequently a high-level quantum mechanical description is only requiredfor a handful of modes, while the majority of environment modes that do notplay a key role in the reactive event of interest are well served with a lowerlevel of theory. In this feature we introduce Modified Filinov filtration as apowerful tool for mixed quantum-classical simulations in a uniformsemiclassical framework.

A Semiclassical Framework for Mixed Quantum Classical Dynamics