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Studies of the Electronic Structure of Metallocene-based Second-order Non-linear Optical Dyes
Electronic Structure Metallocene Second-order Non linear Optical Dyes
2016/5/23
This paper describes a simple orbital picture for understanding the optical transitions and the second-order nonlinear optical response of metallocene-based chromophores of the form metallocene-(pi-br...
Large Molecular Third-Order Optical Nonlinearities in Polarized Carotenoids
Carotenoids Molecular Structure Optics and Photonics Photochemistry Spectrum Analysis
2016/5/23
Garito and co-workers have suggested a mechanism to dramatically increase the second hyperpolarizability, gamma, in linear pi-electron-conjugated molecules. Polarization is introduced that leads to a ...
Higher-Order Stark Spectroscopy:Polarizability of Photosynthetic Pigments
Higher-Order Stark Spectroscopy Polarizability Photosynthetic Pigments
2016/5/23
Stark spectra for nonoriented molecules with typical broad inhomogeneous line widths are obtained by applying an ac electric field and detecting the change in absorbance at the second harmonic of the ...
Most of our food, medicine, fuel, plastics and synthetic fibers wouldn’t exist without catalysts, materials that open favorable pathways for chemical reactions to run forth. And yet chemists don’t ful...
Excitonic effects from geometric order and disorder explain broadband optical absorption in eumelanin
geometric order disorder explain broadband optical absorption melanin
2014/9/24
Eumelanin is a ubiquitous biological pigment, and the origin of its broadband absorption spectrum has long been a topic of scientific debate. Here, we report a first-principles computational investiga...
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
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 ...
Accuracy of second order perturbation theory in the polaron and variational polaron frames
second order perturbation theory in the polaron variational polaron frames
2014/9/24
In the study of open quantum systems, the polaron transformation has recently attracted a renewed interest as it offers the possibility to explore the strong system-bath coupling regime. Despite this ...
Tracing the structure of asymmetric molecules from high-order harmonic generation
Tracing the structure asymmetric molecules high-order harmonic generation
2014/5/28
We investigate high-order harmonic generation (HHG) from asymmetric molecules exposed to intense laser fields. We show that the emissions of odd and even harmonics depend differently on the orientatio...
The inefficiency of re-weighted sampling and the curse of system size in high order path integration
statistical sampling re-weighting high-order path integrals
2011/8/3
Abstract: Computing averages over a target probability density by statistical re-weighting of a set of samples with a different distribution is a strategy which is commonly adopted in fields as divers...
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...
Polarization Selectivity of Third-Order and Fifth-Order Raman Spectroscopies in Liquids and Solids
Polarization Selectivity Third-Order and Fifth-Order Raman Spectroscopies Liquids and Solids
2014/9/24
Polarization selectivity of third-order and fifth-order Raman spectroscopies is examined for both isotropic liquids and periodic lattices. Our approach directly applies the symmetry property of the pr...
期刊信息
篇名
Exact number of chord diagrams and estimation of the number of spine diagrams of order n
语种
英文
撰写或编译
撰写
作者
李邦河,孙宏伟
第一作者单位
中科院数学与系统科学研究院
刊物名称
Chinese Science Bulletin (科学通报英文版)
页面
vol.4, pp.705...
High-Order Mode-Coupling Theory for the Colloidal Glass Transition
High-Order Mode-Coupling Theory Colloidal Glass Transition
2014/9/24
A theoretical approach is developed to derive a hierarchy of mode-coupling equations for the dynamics of concentrated colloidal suspensions, which improves the prediction of the colloidal glass transi...
Fourth-order quantum master equation and its Markovian bath limit
Fourth-order quantum master equation Markovian bath limit
2014/9/24
Fourth-order quantum master equations~FQMEs!are derived in both time nonlocal and local forms for a general system Hamiltonian, with new detailed expressions for the fourth-order kernel, where the bat...
Calculations of nonlinear spectra of liquid Xe. I. Third-order Raman response
nonlinear spectra liquid Xe Third-order Raman response
2014/9/24
The microscopic interactions and dynamics probed by third-order Raman spectroscopy in an atomic liquid ~Xe! are explored within the Drude oscillator model, both numerically and analytically. Many-body...