Titlebook: Density-Functional Methods for Excited States; Nicolas Ferré,Michael Filatov,Miquel Huix-Rotllant Book 2016 Springer International Publish

惰性气体

https://doi.org/10.1007/978-3-642-75708-2lasers and high harmonic generation light sources. The design and interpretation of these novel experiments poses considerable computational challenges. In this chapter we survey the basic description of nonlinear X-ray spectroscopy signals and the electronic structure protocols which may be used for their simulation.

GLADE

Genome

灯丝

evaculate

Constricted Variational Density Functional Theory Approach to the Description of Excited States,We review the theoretical foundation of constricted variational density functional theory and illustrate its scope through applications.

finite

Excitons in Time-Dependent Density-Functional Theory,sity-functional theory (TDDFT), with an emphasis on excitons. We review the linear-response formalism for periodic solids, discuss excitonic exchange-correlation kernels, calculate exciton binding energies for various materials, and compare the treatment of excitons with TDDFT and with the Bethe–Salpeter equation.

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Nonlinear Spectroscopy of Core and Valence Excitations Using Short X-Ray Pulses: Simulation Challenlasers and high harmonic generation light sources. The design and interpretation of these novel experiments poses considerable computational challenges. In this chapter we survey the basic description of nonlinear X-ray spectroscopy signals and the electronic structure protocols which may be used for their simulation.

使苦恼

和平主义

Topics in Current Chemistryhttp://image.papertrans.cn/d/image/265640.jpg

Nonporous

Thomas Poehlke,Werner Heinz,Heino Stöverf . interacting electrons, albeit limited at the time by certain troubling representability questions. As no practical exact form of the exchange-correlation (xc) energy functional was known, the xc-functional had to be approximated, ideally by a local or semilocal functional. Nowadays, however, the