搜索结果: 1-15 共查到“知识库 化学 quantum”相关记录49条 . 查询时间(0.874 秒)
Effects of Applied Electric Fields on the Quantum Yields for the Initial Electron Transfer Steps in Bacterial Photosynthesis:II.Dynamic Stark Effect
Applied Electric Fields Quantum Yields Initial Electron Transfer Steps Bacterial Photosynthesis Dynamic Stark Effect
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2016/5/23
The quantum yield of the initial charge separation steps in bacterial photosynthetic reaction centers has been shown to be reduced in an applied electric field [Part I, Lao et al., J. Phys. Chem. 97 (...
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
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2016/5/20
Contribution of Spin-Spin Interactions to the Magnetic Field Dependence of the Triplet Quantum Yield in Photosynthetic Reaction Centers.
From Transistor to Trapped-ion Computers for Quantum Chemistry
Transistor Trapped-ion Computers Quantum Chemistry
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2016/1/22
Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentia...
Optimal tunneling enhances the quantum photovoltaic effect in double quantum dots
electronic transport in mesoscopic systems photoconduction and photovoltaic effect quantum dots quantum description of interaction of light and matter
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2014/9/24
We investigate the quantum photovoltaic effect in double quantum dots by applying the nonequilibrium quantum master equation. A drastic suppression of the photovoltaic current is observed near the ope...
Coherent quantum transport in disordered systems: II. Temperature dependence of carrier diffusion coefficients from the time-dependent wavepacket diffusion method
time-dependent wavepacket diffusion carrier diffusion coefficient static and dynamic disorder band-like to hopping-type transport
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2014/9/24
The time-dependent wavepacket diffusion method for carrier quantum dynamics (Zhong and Zhao 2013J. Chem. Phys.138014111), a truncated version of the stochastic Schrödinger equation/wavefunction a...
A hybrid stochastic hierarchy equations of motion approach to treat the low temperature dynamics of non-Markovian open quantum systems
A hybrid stochastic hierarchy equations low temperature dynamics non-Markovian open quantum systems
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2014/9/24
The hierarchical equations of motion technique has found widespread success as a tool to generate the numerically exact dynamics of non-Markovian open quantum systems. However, its application to low ...
Coherent quantum transport in disordered systems: I. The influence of dephasing on the transport properties and absorption spectra on one-dimensional systems
quantum transport in disordered systems dephasing on the transport properties absorption spectra one-dimensional systems
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2014/9/24
Excitonic transport in static-disordered one dimensional systems is studied in the presence of thermal fluctuations that are described by the Haken–Strobl–Reineker model. For short times, non-diffusiv...
Higher-order kinetic expansion of quantum dissipative dynamics: Mapping quantum networks to kinetic networks
Higher-order kinetic expansion quantum dissipative dynamics Mapping quantum networks kinetic networks
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2014/9/24
We apply a new formalism to derive the higher-order quantum kinetic expansion (QKE) for studying dissipative dynamics in a general quantum network coupled with an arbitrary thermal bath. The dynamics ...
Quantum Separation of Local Search and Fixed Point Computation
Quantum query complexity Fixed-point computation Local search Sperner’s lemma Quantum adversary method
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2012/12/4
We give a lower bound of (n(d−1)/2) on the quantum query complexity for finding a fixed point of a discrete Brouwer function over grid [n]d. Our lower
bound is nearly tight, as Grover Search c...
Efficient energy transfer in light-harvesting systems: Quantum-classical comparison, flux network, and robustness analysis
Efficient energy transfer light-harvesting systems Quantum-classical comparison flux network robustness analysis
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2014/9/24
Following the calculation of optimal energy transfer in thermal environment in our first paper [J. L. Wu, F. Liu, Y. Shen, J. S. Cao, and R. J. Silbey, New J. Phys.12,105012(2010)],fullquantum dynamic...
Nonadiabatic Dynamics in Open Quantum-Classical Systems: Forward-Backward Trajectory Solution
Nonadiabatic Dynamics Open Quantum-Classical Systems Forward-Backward Trajectory Solution Chemical Physics
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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
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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...
Pairing in graphene: A quantum Monte Carlo study
Pairing in graphene A quantum Monte Carlo study
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2014/5/28
To address the issue of electron correlation driven superconductivity in graphene, we perform a systematic quantum Monte Carlo study of the pairing correlation in the t -U-V Hubbard model on a honeyco...
UV Photolysis of N2O Isotopomers: Isotopic Fractionations and Product Rotational Quantum State Distributions
Time-dependent wavepacket Isotopic fractionation Product rotational distri-bution
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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
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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...