Details
Title
Zimmermann, Tomas
Sciper ID
187721
Publications
Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity
Efficient evaluation of the accuracy of molecular quantum dynamics on an approximate analytical or interpolated ab initio potential energy surfac[...]
Evaluation of the importance of spin-orbit couplings in the nonadiabatic quantum dynamics with quantum fidelity and with its efficient “on-the-fl[...]
Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation
Nonadiabatic effects in electronic and nuclear dynamics
Path integral evaluation of equilibrium isotope effects
Path integral evaluation of the equilibrium isotope effect in [1,5] sigmatropic hydrogen shift reactions
Role of sampling in evaluating classical time autocorrelation functions
Self-Assembled Molecular Rafts at Liquid|Liquid Interfaces for Four-Electron Oxygen Reduction
Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] s[...]
See complete list of publications (11)
Efficient evaluation of the accuracy of molecular quantum dynamics on an approximate analytical or interpolated ab initio potential energy surfac[...]
Evaluation of the importance of spin-orbit couplings in the nonadiabatic quantum dynamics with quantum fidelity and with its efficient “on-the-fl[...]
Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation
Nonadiabatic effects in electronic and nuclear dynamics
Path integral evaluation of equilibrium isotope effects
Path integral evaluation of the equilibrium isotope effect in [1,5] sigmatropic hydrogen shift reactions
Role of sampling in evaluating classical time autocorrelation functions
Self-Assembled Molecular Rafts at Liquid|Liquid Interfaces for Four-Electron Oxygen Reduction
Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] s[...]
See complete list of publications (11)
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Zimmermann, Tomáš
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