Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations-Reference-Cited by-同舟云学术

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Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations

Published:2024-05-07 Issue:10 Volume:20 Page:4196-4204
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sereda Mykola¹^ORCID,Allen Tucker¹,Bradbury Nadine C.¹^ORCID,Ibrahim Khaled Z.²,Neuhauser Daniel¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, and California Nanoscience Institute, UCLA, Los Angeles, California 90095-1569, United States

2. Computer Science Department, Lawrence Berkeley National Laboratory, One Cyclotron Road, Berkeley, California 94720, United States

Funder

Advanced Scientific Computing Research

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00260

Reference56 articles.

1. Time-Dependent Density Functional Response Theory for Molecules

2. Dynamic polarizabilities and excitation spectra from a molecular implementation of time‐dependent density‐functional response theory: N2as a case study

3. Time-dependent local-density approximation in real time: Application to conjugated molecules

4. Optical response of small carbon clusters

5. Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption

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