Time-Dependent Coupled Perturbed Hartree–Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals-Reference-Cited by-同舟云学术

Time-Dependent Coupled Perturbed Hartree–Fock and Density-Functional-Theory Approach for Calculating Frequency-Dependent (Hyper)Polarizabilities with Nonorthogonal Localized Molecular Orbitals

Published:2017-08-25 Issue:9 Volume:13 Page:4101-4112
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Peng Daoling¹^ORCID,Li Shaopeng¹,Peng Liang¹,Gu Feng Long¹,Yang Weitao¹²^ORCID

Affiliation:

1. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education; School of Chemistry and Environment, South China Normal University, Guangzhou 510006, China

2. Department of Chemistry, Duke University, Box 90346, Durham, North Carolina 27708-0346, United States

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00321

Reference58 articles.

1. Syntheses and Properties of Two-Dimensional Charged Nonlinear Optical Chromophores Incorporating Redox-Switchable cis-Tetraammineruthenium(II) Centers

2. Enhanced Two‐Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments

3. Geometrical structure of benzene and naphthalene: Ultrahigh-resolution laser spectroscopy and ab initio calculation

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