Accurate Evaluation of Real-Time Density Functional Theory Providing Access to Challenging Electron Dynamics-Reference-Cited by-同舟云学术

Accurate Evaluation of Real-Time Density Functional Theory Providing Access to Challenging Electron Dynamics

Published:2018-02-28 Issue:4 Volume:14 Page:1910-1927
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Schelter Ingo¹,Kümmel Stephan¹^ORCID

Affiliation:

1. Department of Physics, University of Bayreuth, 95440 Bayreuth, Germany

Funder

Elitenetzwerk Bayern

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01013

Reference85 articles.

1. Density Functional Theory

2. Gross, E. K. U.; Dobson, J. F.; Petersilka, M. In Density Functional Theory II: Relativistic and Time Dependent Extensions; Nalewajski, R. F., Eds. Springer: Berlin, 1996; pp 81–172.

3. TIME-DEPENDENT DENSITY FUNCTIONAL THEORY

4. Lecture Notes in Physics;Marques M. A. L.,2012

5. Time-dependent local-density approximation in real time

Cited by 32 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Super-resolution techniques to simulate electronic spectra of large molecular systems;Nature Communications;2024-09-12

2. Optical properties and exciton transfer between N-heterocyclic carbene iridium(III) complexes for blue light-emitting diode applications from first principles;The Journal of Chemical Physics;2024-02-23

3. Relativistic Real-Time Methods;Comprehensive Computational Chemistry;2024

4. Real-Time Time-Dependent Density Functional Theories With Large Time Step and Short Simulation Time;Comprehensive Computational Chemistry;2024

5. Meta-generalized gradient approximations in time dependent generalized Kohn–Sham theory: Importance of the current density correction;The Journal of Chemical Physics;2023-09-28