Electronic excitations in solids: Density functional and Green's function theory

Pulci O; Marsili M; Luppi E; Hogan C; Garbuio V; Sottile F; Magri R; Del Sole R

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Electronic excitations in solids: Density functional and Green's function theory

机译：固体中的电子激发：密度泛函和格林函数理论

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Theoretical approaches for ab initio studies of the electronic and optical properties of matter are here reviewed. Examples within Density Functional Theory, Many-Body perturbation Theory and Time Dependent Density Functional Theory are presented and discussed, pointing out advantages and drawbacks of the different schemes. (c) 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

机译：这里回顾了从头开始研究物质的电子和光学性质的理论方法。提出并讨论了密度泛函理论，多体摄动理论和时变密度泛函理论中的例子，指出了不同方案的优缺点。（c）2005 WILEY-VCH Verlag GmbH＆Co. KGaA，Weinheim。

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《Physica status solidi, B. Basic research》 |2005年第13期|共14页
作者
Pulci O; Marsili M; Luppi E; Hogan C; Garbuio V; Sottile F; Magri R; Del Sole R;
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正文语种 eng
中图分类固体物理学;
关键词
AB-INITIO CALCULATION; DIELECTRIC-CONSTANT; OPTICAL-ABSORPTION; QUASI-PARTICLE; CLUSTERS; SPECTRA; SYSTEMS;

机译：绝对值计算;介电常数;光学吸收;准粒子;簇;光谱;系统;

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1. Electronic excitations in solids: Density functional and Green's function theory [J] . Pulci O, Marsili M, Luppi E, Physica status solidi, B. Basic research . 2005,第13期

机译：固体中的电子激发：密度泛函和格林函数理论
2. Why are time-dependent density functional theory excitations in solids equal to band structure energy gaps for semilocal functionals, and how does nonlocal Hartree-Fock-type exchange introduce excitonic effects? [J] . Izmaylov AF, Scuseria GE The Journal of Chemical Physics . 2008,第3期

机译：为什么固体中随时间变化的密度泛函理论激发等于半局部泛函的能带结构能隙，非局部Hartree-Fock型交换如何引入激子效应？
3. Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies [J] . Presti Davide, Kadlec Jan, Truhlar Donald G., Theoretical chemistry accounts . 2020,第2期

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4. Combined Density Functional Theory and Ensembled Elman Network Correction Approach for Electronic Excitation Energies [C] . Li Hui, Gao Ting, Lu Yinghua, 2011 International Conference on Control, Automation and Systems Engineering (CASE) . 2011

机译：结合密度泛函理论和集成Elman网络校正的电子激励能量方法
5. Electronic Excitations from Density Functional Theory, Time-Dependent Linear Response and Many-Body Green's Functions [D] . Zhang, Du. 2017

机译：密度泛函理论，时变线性响应和多体格林函数的电子激发
6. Electronic Excitations in Complex Molecular Environments:Many-Body Green’s Functions Theory in VOTCA-XTP [O] . Jens Wehner, Lothar Brombacher, Joshua Brown, -1

机译：复杂分子环境中的电子激发：VOTCA-XTP中的多体格林函数理论
7. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory [O] . Sato, Shunsuke A., Taniguchi, Yasutaka, Shinohara, Yasushi, 2015

机译：结晶固体中的非线性电子激发元广义梯度逼近与混合泛函时间密度泛函理论

Electronic excitations in solids: Density functional and Green's function theory

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