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Comparing thermal wave function methods for multi-configuration time-dependent Hartree simulations
American Institute of Physics | 2014| -
A novel system-bath Hamiltonian for vibration-phonon coupling: Formulation, and application to the relaxation of Si–H and Si–D bending modes of H/D:Si(100)-(2×1)
British Library Online Contents | 2017| -
Erratum: “Comparing thermal wave function methods for multi-configuration time-dependent Hartree simulations” [J. Chem. Phys. 140, 044106 (2014)]
Free accessAmerican Institute of Physics | 2015| -
Vibrationally resolved absorption, emission and resonance Raman spectra of diamondoids: a study based on time-dependent correlation functions
British Library Online Contents | 2014| -
Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces
British Library Online Contents | 2006| -
ELECTRON TRANSPORT AT INTERFACES - Laser-driven electron dynamics at interfaces
Online Contents | 2005| -
A quantum-mechanical tier model for phonon-driven vibrational relaxation dynamics of adsorbates at surfaces
American Institute of Physics | 2019| -
The Chemistry of Water on alpha -Alumina: Kinetics and Nuclear Quantum Effects from First Principles
British Library Online Contents | 2012| -
Theory of photon- and STM-induced bond cleavage at surfaces
British Library Online Contents | 2004| -
Role of electronic friction during the scattering of vibrationally excited nitric oxide molecules from Au(111) (10 pages)
British Library Online Contents | 2010| -
The multiconfiguration time-dependent Hartree–Fock method for quantum chemical calculations
National licenceAmerican Institute of Physics | 2005| -
Time-dependent approach to electronically excited states of molecules with the multiconfiguration time-dependent Hartree-Fock method
National licenceAmerican Institute of Physics | 2007| -
Serine in BLUF domains displays spectral importance in computational models
British Library Online Contents | 2009| -
Quantum chemical modeling of the kinetic isotope effect of the carboxylation step in RuBisCO
British Library Online Contents | 2012| -
Quantum Dynamics of Laser- and Field-Induced Desorption of Molecules from Metal Surfaces
British Library Online Contents | 2000| -
Quantum Dynamics of Laser- and Field-Induced Desorption of Molecules from Metal Surfaces
Online Contents | 2000|
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