Timothy J. H. Hele
Identifiers
- name variant Timothy J. H. Hele 0.60 · backfill
Papers (16)
- Anticipating acene-based chromophore spectra with molecular orbital arguments physics.chem-ph · 2018 · author #1
- Theoretical description of Carbene-Metal-Amides physics.chem-ph · 2018 · author #1
- Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation physics.chem-ph · 2017 · author #2
- Thermal quantum time-correlation functions from classical-like dynamics physics.chem-ph · 2017 · author #1
- Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates physics.chem-ph · 2016 · author #3
- Deriving the exact nonadiabatic quantum propagator in the mapping variable representation physics.chem-ph · 2016 · author #1
- An alternative derivation of ring-polymer molecular dynamics transition-state theory physics.chem-ph · 2016 · author #1
- How to obtain thermostatted ring polymer molecular dynamics from exact quantum dynamics and when to use it physics.chem-ph · 2015 · author #1
- Should Thermostatted Ring Polymer Molecular Dynamics be used to calculate thermal reaction rates? physics.chem-ph · 2015 · author #1
- Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics physics.chem-ph · 2015 · author #1
- Boltzmann-conserving classical dynamics in quantum time-correlation functions: Matsubara dynamics physics.chem-ph · 2015 · author #1
- Quantum Transition-State Theory physics.chem-ph · 2014 · author #1
- An Electronically Non-Adiabatic Generalization of Ring Polymer Molecular Dynamics physics.chem-ph · 2013 · author #1
- On the uniqueness of t->0+ quantum transition-state theory physics.chem-ph · 2013 · author #1
- Derivation of a true (t->0+) quantum transition-state theory. Part I: Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory physics.chem-ph · 2013 · author #1
- Derivation of a true (t->0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing physics.chem-ph · 2013 · author #2
Mentions
Frequent Coauthors
- Stuart C. Althorpe 6 shared papers
- Nandini Ananth 3 shared papers
- Andrea Muolo 2 shared papers
- Michael J. Willatt 2 shared papers
- Anna Powers 1 shared papers
- Dan Credgington 1 shared papers
- Elango Kumarasamy 1 shared papers
- Eric G. Fuemmeler 1 shared papers
- Gregory S. Ezra 1 shared papers
- Joseph R. Cendagorta 1 shared papers
- Luis M. Campos 1 shared papers
- Mark E. Tuckerman 1 shared papers
- Matthew S. Church 1 shared papers
- Matthew Y. Sfeir 1 shared papers
- Ondrej Marsalek 1 shared papers
- Samuel N. Sanders 1 shared papers
- Yury V. Suleimanov 1 shared papers
- Zlatko Ba\v{c}i\'c 1 shared papers