Coherence in Chemistry: Foundations and Frontiers
Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …
unsurprising that coherence has deep connections with the most contemporary issues in …
Ultrafast excited-state energy transfer in phenylene ethynylene dendrimer: Quantum dynamics with the tensor network method
Photoinduced excited-state energy transfer (EET) processes play an important role in solar
energy conversions. Owing to their excellent photoharvesting and exciton-transport …
energy conversions. Owing to their excellent photoharvesting and exciton-transport …
Recent advances in machine learning for electronic excited state molecular dynamics simulations
B Bachmair, MM Reiner, MX Tiefenbacher… - 2022 - books.rsc.org
Machine learning has proven useful in countless different areas over the past years,
including theoretical and computational chemistry, where various issues can be addressed …
including theoretical and computational chemistry, where various issues can be addressed …
Recent advances in machine learning for electronic excited state molecular dynamics simulations
Machine learning has proven useful in countless different areas over the past years,
including theoretical and computational chemistry, where various issues can be addressed …
including theoretical and computational chemistry, where various issues can be addressed …
Ab Initio and Machine Learning Approaches to Excited-State Molecular Dynamics
Y Bai - 2023 - search.proquest.com
Molecular excited states, which are typically generated with photo-absorption, play an
important role in lot of natural processes like harvesting the energy in sunlight …
important role in lot of natural processes like harvesting the energy in sunlight …
Natural-orbital representation of molecular electronic transitions
T Etienne - 2022 - books.rsc.org
This paper aims at introducing the formal foundations of the application of reduced density-
matrix theory and Green's function theory to the analysis of molecular electronic transitions …
matrix theory and Green's function theory to the analysis of molecular electronic transitions …