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Optical Absorption in Molecular Crystals from Time-Dependent Density Functional Theory.

机译：从时间密度泛函理论看分子晶体中的光学吸收。

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作者
Kronik, L.;
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年度 2017
页码 1-13
总页数 13
原文格式 PDF
正文语种 eng
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关键词
Molecular crystals; Time-Dependent Density Functional Theory;

机译：分子晶体;时间依赖密度泛函理论;

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1. Optical Absorptions of New Blue-Light Emitting Oligoquinolines Bearing Pyrenyl and Triphenyl Endgroups Investigated with Time-Dependent Density Functional Theory [J] . Jianmin Tao, Sergei Tretiak Journal of chemical theory and computation: JCTC . 2009,第4期

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2. Davydov-type excitonic effects on the absorption spectra of parallel-stacked and herringbone aggregates of pentacene: Time-dependent density-functional theory and time-dependent density-functional tight binding [J] . Darghouth Ala Aldin M. H. M., Correa Gabriela Calinao, Juillard Sacha, The Journal of Chemical Physics . 2018,第13期

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3. Comparison and convergence of optical absorption spectra of noble metal nanoparticles computed using linear-response and real-time time-dependent density functional theories [J] . Weerawardene K. L. Dimuthu M., Aikens Christine M. Computational & theoretical chemistry . 2018,第期

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4. Optical Absorption in B_(13) Cluster: A Time-Dependent Density Functional Approach [C] . Ravindra Shinde, Meenakshi Tayade DAE Solid State Physics Symposium . 2014

机译：B_（13）簇中的光学吸收：时间依赖性密度功能方法
5. Development of Methods for Reducing the Cost of Density Functional Theory and Time-Dependent Density Functional theory. [D] . Hernandez, Samuel. 2015

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6. Solvatochromic effect in absorption and emission spectra of star-shaped bipolar derivatives of 135-triazine and carbazole. A time-dependent density functional study [O] . Gleb V. Baryshnikov, Sergey V. Bondarchuk, Valentina A. Minaeva, -1

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7. Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules [O] . Autschbach, J., Patchkovskii, S., Ziegler, T., 2002

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Optical Absorption in Molecular Crystals from Time-Dependent Density Functional Theory.

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