Consistency requirement in the Pariser-Parr-Pople model
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference12 articles.
1. Improved single-particle propagators in the theory of conjugated systems
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1. Ultrafast Computational Screening of Molecules with Inverted Singlet–Triplet Energy Gaps Using the Pariser–Parr–Pople Semiempirical Quantum Chemistry Method;The Journal of Physical Chemistry A;2024-03-14
2. How the Donor/Acceptor Spin States Affect the Electronic Couplings in Molecular Charge-Transfer Processes?;Journal of Chemical Theory and Computation;2021-04-08
3. Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics;The Journal of Physical Chemistry Letters;2017-09-21
4. Can model Hamiltonians describe the electron–electron interaction inπ-conjugated systems?: PAH and graphene;Journal of Physics: Condensed Matter;2015-10-26
5. Propagators and their implications;Molecular Physics;2010-11-10
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