Charge-Transfer Excitation within a Hybrid-(G)KS Framework through Cartesian Grid DFT-Reference-Cited by-同舟云学术

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Charge-Transfer Excitation within a Hybrid-(G)KS Framework through Cartesian Grid DFT

Published:2022-02-18 Issue:8 Volume:126 Page:1448-1457
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Roy Raj¹,Ghosal Abhisek²,Roy Amlan K.¹^ORCID

Affiliation:

1. Department of Chemical Sciences Indian Institute of Science Education and Research (IISER) Kolkata, Nadia, Mohanpur 741246, West Bengal, India

2. Department of Chemical Sciences Tata Institute of Fundamental Research (TIFR) Homi Bhabha Road, Colaba, Mumbai 400005, India

Funder

Science and Engineering Research Board

Board of Research in Nuclear Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10593

Reference75 articles.

1. Molecular compounds and their spectra. XXI. Some general considerations

2. Donor-Acceptor Complexes

3. Ground-State Electronic Structure in Charge-Transfer Complexes Based on Carbazole and Diarylamine Donors

4. π-Conjugated Donor−Acceptor Copolymers Constituted of π-Excessive and π-Deficient Arylene Units. Optical and Electrochemical Properties in Relation to CT Structure of the Polymer

5. Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor–acceptor conjugated polymers

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1. Relativistic Treatment of Many‐Electron Systems Through DFT in CCG;Electron Density;2024-07-05

2. Efficient regulation of active layer morphology and interfacial charge-transfer process by porphyrin-based additive in organic solar cells;Colloids and Surfaces A: Physicochemical and Engineering Aspects;2023-02

3. Recent Advances in Cartesian-Grid DFT in Atoms and Molecules;Frontiers in Chemistry;2022-07-22

4. A real-time TDDFT scheme for strong-field interaction in Cartesian coordinate grid;Chemical Physics Letters;2022-06

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