Benchmarking Correlation-Consistent Basis Sets for Frequency-Dependent Polarizabilities with Multiresolution Analysis-Reference-Cited by-同舟云学术

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Benchmarking Correlation-Consistent Basis Sets for Frequency-Dependent Polarizabilities with Multiresolution Analysis

Published:2024-06-06 Issue:12 Volume:20 Page:5145-5156
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hurtado Adrian¹^ORCID,Sekino Hideo²,Harrison Robert J.²

Affiliation:

1. Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794-2275, United States

2. Institute for Advanced Computational Science, Stony Brook University, Stony Brook, New York 11794-5250, United States

Funder

U.S. Department of Energy

National Science Foundation

Empire State Development's Division of Science, Technology and Innovation

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00394

Reference35 articles.

1. Hurtado, A. Multiresolution Analysis for Accurate and Efficient Computation of Linear and Non-linear Response Properties in Quantum Chemistry. Doctoral dissertation, Stony Brook University; 2023.

2. Multiresolution quantum chemistry: Basic theory and initial applications

3. Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree–Fock and density functional theory

4. Basis set limit Hartree–Fock and density functional theory response property evaluation by multiresolution multiwavelet basis

5. On the density matrix based approach to time-dependent density functional response theory

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