搜索结果: 136-150 共查到“知识库 化学物理学”相关记录378条 . 查询时间(1.368 秒)
利用飞秒泵浦探测技术对CdSe/CdS/ZnS量子点体系中的超快载流子动力学过程进行了研究. 通过选择不同波长的泵浦光分别激发样品壳层和核层，研究了载流子在壳层和核层中的超快动力学过程. 实验结果表明，载流子在CdS壳层导带中弛豫过程非常迅速(约130 fs)，时间明显短于载流子在CdSe核层导带中的弛豫时间(约400 fs). 实验中也发现在CdS壳层和CdSe核层的分界面存在一定量的缺陷态.
Theoretical Study on First Hyperpolarizabilities of End-Capped Triply Branched Dendrimers
Dendritic chromophore Nonlinear optical Hyperpolarizability
2012/4/5
A series of end-capped triply branched dendritic chromophores have been studied by means of density functional theory calculations. It is found that the second order nonlinear optical properties of th...
Quasi-classical Trajectory Study of C+CD→C2+D at Different Collision Energy
Quasi-classical trajectory Stereodynamics calculation Polarization depen-dent generalized differential cross-section Stereodynamics
2012/4/5
Quasi-classical trajectory calculations have been employed to investigate the influence of collision energy on the stereodynamics of the title reaction C+CD→C2+D on the poten-tial energy surface of th...
利用密度泛函和含时密度泛函理论方法研究了1,4-苯二硫醇分子在两个金团簇之间的表面增强拉曼散射及表面增强共振拉曼散射光谱. 采用对应四种不同形式的电荷转移激发态能量的入射光，计算了表面增强共振拉曼光谱. 结果显示，光谱增强的效果与电荷转移的形式密切相关. 不同的电荷转移形式对增强因子的贡献是有差异的.
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...
Explaining the observed long coherence effects by 2D photon echo experiments in photosynthetic EET : Two-Component Phonon Spectrum model
2-D photon echo spectroscopy Quantum masterequations polaron transformation Dynamical disorder Novikov theorem
2011/9/8
We propose a simple stochastic model which successfully explains the long coherence effects observed in photosynthetic Excitation Energy Transport (EET) by 2D photon echo experiments of G. S. Engel et...
Preparation of ZnO Nanoparticles and Photocatalytic H2 Production Activity from Different Sacrificial Reagent Solutions
Photocatalytic hydrogen production ZnO Photocatalytic activity Sacrificial reagent
2012/4/5
ZnO nanoparticles were synthesized via a direct precipitation method followed by a hetero-geneous azeotropic distillation and calcination processes, and then characterized by X-ray power diffraction, ...
The Quantified NTO Analysis for the Electronic Excitations of Molecular Many-Body Systems
the Electronic Excitations Molecular Many-Body Systems
2011/9/5
We show that the origin of electronic transitions of molecular many-body systems can be revealed by a quantified natural transition orbitals (QNTO) analysis and the electronic excitations of the total...
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...
Supersymmetry identifies molecular Stark states whose eigenproperties can be obtained analytically
orientation, alignment, Stark e ect, combined elds, induced-dipole interaction, supersymmetry in quantum mechanics, shape-invariance, Schrodinger equation, exact solvability, analytic wavefu
2011/9/5
We made use of supersymmetric (SUSY) quantum mechanics to nd a condition under which the Stark e ect problem for a polar and polarizable closed-shell diatomic molecule subject to collinear electrosta...
Photodissociation is the dominant removal process of molecules in any region exposed to intense ultraviolet (UV) radiation. This includes diffuse and translucent interstellar clouds, dense photon-domi...
FEAST fundamental framework for electronic structure calculations
fundamental framework electronic structure calculations
2011/9/14
In a recent article [1], FEAST has been presented as a general purpose eigenvalue algorithm which is ideally suited for addressing the numerical challenges in electronic structure calculations.Here, F...
Decoherence is one of the most important obstacles that must be overcome in quantum information processing. It depends on the qubit-environment coupling strength, but also on the spectral composition ...
Driving conditions dependence of magneto-electroluminescence in tri-(8-hydroxyquinoline)-aluminum based organic light emitting diodes
magneto-electroluminescence organic light emitting diodes
2011/9/2
we investigated the magneto-electroluminescence (MEL) in tri-(8-hydroxyquinoline)-aluminum based organic light-emitting diodes (OLEDs) through the steady-state and transient method simultaneously. The...