Ab Initio Calculation of the Ultraviolet–Visible (UV-vis) Absorption Spectrum, Electron-Loss Function, and Reflectivity of Solids-Reference-Cited by-同舟云学术

Ab Initio Calculation of the Ultraviolet–Visible (UV-vis) Absorption Spectrum, Electron-Loss Function, and Reflectivity of Solids

Published:2015-06-03 Issue:7 Volume:11 Page:3245-3258
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ferrari Anna Maria¹,Orlando Roberto¹,Rérat Michel²

Affiliation:

1. Dipartimento di Chimica IFM, Università di Torino and Nanostructured Interfaces and Surfaces (NIS)—Centre of Excellence (), Via P. Giuria 7, 10125 Torino, Italy

2. Equipe de Chimie Physique, IPREM UMR5254, Université de Pau et des Pays de l’Adour, 64000 Pau, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00199

Reference58 articles.

1. Abinitioanalytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C4H6to C22H24

2. The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code

3. CRYSTAL14 : A program for the ab initio investigation of crystalline solids

4. Coupled perturbed Kohn-Sham calculation of static polarizabilities of periodic compounds

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