Electron-Affinity Time-Dependent Density Functional Theory: Formalism and Applications to Core-Excited States-Reference-Cited by-同舟云学术

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Electron-Affinity Time-Dependent Density Functional Theory: Formalism and Applications to Core-Excited States

Published:2022-10-10 Issue:41 Volume:13 Page:9664-9672
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Carter-Fenk Kevin¹^ORCID,Cunha Leonardo A.¹^ORCID,Arias-Martinez Juan E.¹^ORCID,Head-Gordon Martin¹²^ORCID

Affiliation:

1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California94720, United States

2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California94720, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c02564

Reference102 articles.

1. Photoelectron spectra of alkali metal–ammonia microjets: From blue electrolyte to bronze metal

2. Monitoring Ultrafast Chemical Dynamics by Time-Domain X-ray Photo- and Auger-Electron Spectroscopy

3. Direct observation of charge separation in an organic light harvesting system by femtosecond time-resolved XPS

4. Tracking multiple components of a nuclear wavepacket in photoexcited Cu(I)-phenanthroline complex using ultrafast X-ray spectroscopy

5. Modern X-ray spectroscopy: XAS and XES in the laboratory

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