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Timothy J H Hele

Showing results (1-10 of 32) with videos related to

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Faraday Discussions|October 19, 2016
Deriving the exact nonadiabatic quantum propagator in the mapping variable representationTimothy J H Hele, Nandini Ananth
The Journal of Chemical Physics|September 7, 2013
On the uniqueness of t → 0+ quantum transition-state theoryTimothy J H Hele, Stuart C Althorpe
The Journal of Chemical Physics|April 26, 2024
ExROPPP: Fast, accurate, and spin-pure calculation of the electronically excited states of organic hydrocarbon radicalsJames D Green, Timothy J H Hele
The Journal of Chemical Physics|May 9, 2016
An alternative derivation of ring-polymer molecular dynamics transition-state theoryTimothy J H Hele, Stuart C Althorpe
The Journal of Chemical Physics|March 8, 2013
Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theoryTimothy J H Hele, Stuart C Althorpe
The Journal of Chemical Physics|September 7, 2013
Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossingStuart C Althorpe, Timothy J H Hele
The Journal of Chemical Physics|August 24, 2015
Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?Timothy J H Hele, Yury V Suleimanov
The Journal of Chemical Physics|November 4, 2025
On the electronic path integral normal modes of the Meyer-Miller-Stock-Thoss representation of nonadiabatic dynamicsLauren E Cook, Timothy J H Hele
The Journal of Chemical Physics|July 9, 2021
Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular sizeTimothy J H Hele, Bartomeu Monserrat, Antonios M Alvertis
The Journal of Chemical Physics|May 7, 2022
Electronic energies from coupled fermionic "Zombie" states' imaginary time evolutionOliver A Bramley, Timothy J H Hele, Dmitrii V Shalashilin
Pageof 4

Showing results (1-10 of 32) with videos related to

Sort By:
Pageof 4
Faraday Discussions|October 19, 2016
Deriving the exact nonadiabatic quantum propagator in the mapping variable representationTimothy J H Hele, Nandini Ananth
The Journal of Chemical Physics|September 7, 2013
On the uniqueness of t → 0+ quantum transition-state theoryTimothy J H Hele, Stuart C Althorpe
The Journal of Chemical Physics|April 26, 2024
ExROPPP: Fast, accurate, and spin-pure calculation of the electronically excited states of organic hydrocarbon radicalsJames D Green, Timothy J H Hele
The Journal of Chemical Physics|May 9, 2016
An alternative derivation of ring-polymer molecular dynamics transition-state theoryTimothy J H Hele, Stuart C Althorpe
The Journal of Chemical Physics|March 8, 2013
Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theoryTimothy J H Hele, Stuart C Althorpe
The Journal of Chemical Physics|September 7, 2013
Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossingStuart C Althorpe, Timothy J H Hele
The Journal of Chemical Physics|August 24, 2015
Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?Timothy J H Hele, Yury V Suleimanov
The Journal of Chemical Physics|November 4, 2025
On the electronic path integral normal modes of the Meyer-Miller-Stock-Thoss representation of nonadiabatic dynamicsLauren E Cook, Timothy J H Hele
The Journal of Chemical Physics|July 9, 2021
Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular sizeTimothy J H Hele, Bartomeu Monserrat, Antonios M Alvertis
The Journal of Chemical Physics|May 7, 2022
Electronic energies from coupled fermionic "Zombie" states' imaginary time evolutionOliver A Bramley, Timothy J H Hele, Dmitrii V Shalashilin
Pageof 4