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Contribution of Spin-Spin Interactions to the Magnetic Field Dependence of the Triplet Quantum Yield in Photosynthetic Reaction Centers
Spin-Spin Interactions Magnetic Field Triplet Quantum Yield Photosynthetic Reaction Centers
2016/5/20
Contribution of Spin-Spin Interactions to the Magnetic Field Dependence of the Triplet Quantum Yield in Photosynthetic Reaction Centers.
Nonadiabatic Dynamics in Open Quantum-Classical Systems: Forward-Backward Trajectory Solution
Nonadiabatic Dynamics Open Quantum-Classical Systems Forward-Backward Trajectory Solution Chemical Physics
2012/5/29
A new approximate solution to the quantum-classical Liouville equation is derived starting from the formal solution of this equation in forward-backward form. The time evolution of a mixed quantum-cla...
Role of quantum nuclei and local fields in the x-ray absorption spectra of water and ice
Role of quantum nuclei local fields the x-ray absorption spectra of water and ice Chemical Physics
2012/4/19
We calculate the x-ray absorption spectra of liquid water at ambient conditions and of hexagonal ice close to melting, using a static GW approach that includes approximately local field effects. Quant...
UV Photolysis of N2O Isotopomers: Isotopic Fractionations and Product Rotational Quantum State Distributions
Time-dependent wavepacket Isotopic fractionation Product rotational distri-bution
2012/4/5
The time-dependent quantum wave packet method is used to study the dynamics of the pho-todissociation processes for the isotopomers 14N14N16O, 14N15N16O, 15N15N16O, 15N15N16O, 14N14N17O, and 14N14N18O...
Quantum Mechanics Rate Constant for the N+ND Reaction
Nonadiabatic quantum dynamical calculation N+ND→N2+D reaction Rate constant
2012/4/5
We present nonadiabatic quantum dynamical calculations on the two coupled potential en-ergy surfaces (12A′ and 22A′) [J. Theor. Comput. Chem. 8, 849 (2009)] for the reaction. Initial state-resolved re...
Detailed study of dissipative quantum dynamics of K-2 attached to helium nanodroplets
K-2 helium nanodroplets
2011/9/9
We thoroughly investigate vibrational quantum dynamics of dimers attached to He droplets motivated by recent measurements with K2 [1]. For those femtosecond pump-probe experiments, crucial observed fe...
Non-Markovian Second-Order Quantum Master Equation and Its Markovian Limit: Electronic Energy Transfer in Model Photosynthetic Systems
Non-Markovian Second-Order Quantum Master Equation Electronic Energy Transfer
2011/9/9
A direct numerical algorithm for solving the time-nonlocal non-Markovian master equation in the second Born approximation is introduced and the range of utility of this approximation, and of the Marko...
Supersymmetric Quantum Mechanics For Atomic Electronic Systems
Supersymmetric Quantum Mechanics Atomic Electronic Systems
2011/9/15
We employ our new approach to non-relativistic supersymmetric quantum mechanics (SUSYQM),(J. Phys. Chem. A 114, 8202(2010)) for any number of dimensions and distinguishable particles, to treat the hyd...
Hamiltonian Reduction of Quantum Systems Controlled by Pulses
Quantum control Population transfer Laser pulse Dimension reduction
2012/4/5
We explores Hamiltonian reduction in pulse-controlled finite-dimensional quantum systems with near-degenerate eigenstates. A quantum system with a non-degenerate ground state and several near-degenera...