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Timothy J. H. Hele

Identifiers

  • name variant Timothy J. H. Hele 0.60 · backfill

Papers (25)

  1. On the Symplectic Propagation of the Spin-MInt Algorithm for Non-Adiabatic Quantum Dynamics physics.chem-ph · 2026 · author #3
  2. Developing fast, accurate and spin pure calculations of organic diradical electronic structure physics.chem-ph · 2026 · author #3
  3. The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics physics.chem-ph · 2025 · author #3
  4. Coulombic control of charge transfer in luminescent radicals with long-lived quartet states cond-mat.mtrl-sci · 2025 · author #14
  5. Which Algorithm Best Propagates the Meyer-Miller-Stock-Thoss Mapping Hamiltonian for Non-Adiabatic Dynamics? physics.chem-ph · 2023 · author #4
  6. Inverse molecular design from first principles: tailoring organic chromophore spectra for optoelectronic applications physics.chem-ph · 2022 · author #3
  7. Electronic energies from coupled fermionic 'Zombie' states imaginary time evolution physics.comp-ph · 2022 · author #2
  8. Singlet and triplet to doublet energy transfer: improving organic light-emitting diodes with radicals physics.chem-ph · 2021 · author #6
  9. Environmental Control of Triplet Emission in Donor-Bridge-Acceptor Organometallics physics.app-ph · 2019 · author #8
  10. Anticipating acene-based chromophore spectra with molecular orbital arguments physics.chem-ph · 2018 · author #1
  11. Theoretical description of Carbene-Metal-Amides physics.chem-ph · 2018 · author #1
  12. Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation physics.chem-ph · 2017 · author #2
  13. Thermal quantum time-correlation functions from classical-like dynamics physics.chem-ph · 2017 · author #1
  14. 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
  15. Deriving the exact nonadiabatic quantum propagator in the mapping variable representation physics.chem-ph · 2016 · author #1
  16. An alternative derivation of ring-polymer molecular dynamics transition-state theory physics.chem-ph · 2016 · author #1
  17. How to obtain thermostatted ring polymer molecular dynamics from exact quantum dynamics and when to use it physics.chem-ph · 2015 · author #1
  18. Should Thermostatted Ring Polymer Molecular Dynamics be used to calculate thermal reaction rates? physics.chem-ph · 2015 · author #1
  19. Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics physics.chem-ph · 2015 · author #1
  20. Boltzmann-conserving classical dynamics in quantum time-correlation functions: Matsubara dynamics physics.chem-ph · 2015 · author #1
  21. Quantum Transition-State Theory physics.chem-ph · 2014 · author #1
  22. An Electronically Non-Adiabatic Generalization of Ring Polymer Molecular Dynamics physics.chem-ph · 2013 · author #1
  23. On the uniqueness of t->0+ quantum transition-state theory physics.chem-ph · 2013 · author #1
  24. 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
  25. 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

  • 2306.16164 #4 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 2202.01539 #2 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 2204.12217 #3 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 2109.13522 #6 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1908.03410 #8 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1812.07648 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1802.00804 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1709.07474 #2 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1701.03016 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1609.00272 #3 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1605.00608 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1603.07966 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1508.05820 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1506.07460 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1505.05065 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1504.02227 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1408.0996 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1307.8035 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1307.3020 #2 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1308.3950 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1307.3729 #1 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 2607.02058 #3 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 2606.25564 #3 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 2512.01579 #3 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 2508.06945 #14 · arxiv_oai · confidence 0.70 Timothy J. H. Hele
  • 1508.05820 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1506.07460 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1505.05065 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1504.02227 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1408.0996 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1308.3950 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1307.8035 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1307.3729 #1 · backfill · confidence 0.70 Timothy J. H. Hele
  • 1307.3020 #2 · backfill · confidence 0.70 Timothy J. H. Hele

Frequent Coauthors