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A general purpose Fortran 90 electronic structure program for conjugated systems using Pariser–Parr–Pople model

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Handbook of Oligo‐ and Polythiophenes
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Theoretical basis and design of the PPP model Hamiltonian
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Conjugated Conducting Polymers
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Some remarks on the Pariser-Parr-Pople method
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The molecular orbital theory of conjugated systems
inferredcites →https://doi.org/10.1016/0379-6779(94)02509-wopenalex-snapshot
Optical and electronic properties of crystalline poly(para-phenylene) by first-principles calculations and experimental results
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Theory of two-photon absorption in poly(diphenyl) polyacetylenes
inferredcites →https://doi.org/10.1016/j.synthmet.2003.07.016openalex-snapshot
Ultrafast excited state absorption and charge separation in phenylene-based conjugated polymers
inferredcites →https://doi.org/10.1016/j.synthmet.2005.01.036openalex-snapshot
A correlated study of linear optical absorption in tetracene and pentacene
inferredcites →https://doi.org/10.1016/j.synthmet.2005.09.015openalex-snapshot
Photoinduced absorption and nonlinear optical properties of disubstituted polyacetylenes: Theory
inferredcites →https://doi.org/10.1016/s0379-6779(00)00521-xopenalex-snapshot
Photophysics of phenyl-substituted polyacetylenes, theory
inferredcites →https://doi.org/10.1016/s0379-6779(96)04087-8openalex-snapshot
Optical properties of substituted poly(paraphenylene)
inferredcites →https://doi.org/10.1016/s0379-6779(97)80755-2openalex-snapshot
Optical properties of polyparaphenyl thin films from oligomers to polymers
inferredcites →https://doi.org/10.1016/s0927-0256(03)00104-6openalex-snapshot
Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
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High-efficiency fluorescent organic light-emitting devices using a phosphorescent sensitizer
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The path to ubiquitous and low-cost organic electronic appliances on plastic
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The rise of graphene
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A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II
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An Organic Electronics Primer
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Symmetry-adapted density matrix renormalization group calculations of the primary excited states of poly(para-phenylene vinylene)
inferredcites →https://doi.org/10.1063/1.3159670openalex-snapshot
Large-scale correlated study of excited state absorptions in naphthalene and anthracene
inferredcites →https://doi.org/10.1063/1.432121openalex-snapshot
Correlation effects in the spectra of polyenes
inferredcites →https://doi.org/10.1063/1.466594openalex-snapshot
Observation of three resonances in the third harmonic generation spectrum of conjugated polymers: Evidence for the four-level essential states model
inferredcites →https://doi.org/10.1080/00268977100100481openalex-snapshot
Perturbation theory of the non-linear optical polarization of an isolated system
inferredcites →https://doi.org/10.1093/acprof:oso/9780199677467.001.0001openalex-snapshot
Electronic and Optical Properties of Conjugated Polymers
inferredcites →https://doi.org/10.1093/oso/9780198526803.001.0001openalex-snapshot
Electronic and Optical Properties of Conjugated Polymers
inferredcites →https://doi.org/10.1103/physrevb.43.6781openalex-snapshot
Essential-states mechanism of optical nonlinearity in π-conjugated polymers
inferredcites →https://doi.org/10.1103/physrevb.55.1497openalex-snapshot
Coulomb interactions and linear, nonlinear, and triplet absorption in poly(para-phenylenevinylene)
inferredcites →https://doi.org/10.1103/physrevb.60.8028openalex-snapshot
Polarized ultraviolet absorption by an oriented derivative of poly(para-phenylene)
inferredcites →https://doi.org/10.1103/physrevb.62.12763openalex-snapshot
Electron-correlation-induced transverse delocalization and longitudinal confinement in excited states of phenyl-substituted polyacetylenes
inferredcites →https://doi.org/10.1103/physrevb.65.045208openalex-snapshot
Coupled-cluster approach for studying the singlet and triplet exciton formation rates in conjugated polymer LED’s
inferredcites →https://doi.org/10.1103/physrevb.65.125204openalex-snapshot
Correlated theory of triplet photoinduced absorption in phenylene-vinylene chains
inferredcites →https://doi.org/10.1103/physrevb.66.035116openalex-snapshot
Density-matrix renormalization-group study of low-lying excitations of polyacene within a Pariser-Parr-Pople model
inferredcites →https://doi.org/10.1103/physrevb.67.245203openalex-snapshot
Theory of excited-state absorption in phenylene-based π -conjugated polymers
inferredcites →https://doi.org/10.1103/physrevb.69.165218openalex-snapshot
Theory of nonlinear optical properties of phenyl-substituted polyacetylenes
inferredcites →https://doi.org/10.1103/physrevb.71.165204openalex-snapshot
Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments
inferredcites →https://doi.org/10.1103/physrevb.79.155106openalex-snapshot
Correlated-electron description of the photophysics of thin films of π -conjugated polymers
inferredcites →https://doi.org/10.1103/physrevlett.71.1609openalex-snapshot
Band to correlated crossover in alternating Hubbard and Pariser-Parr-Pople chains: Nature of the lowest singlet excitation of conjugated polymers
inferredcites →https://doi.org/10.1103/physrevlett.83.3944openalex-snapshot
Designing Emissive Conjugated Polymers with Small Optical Gaps: A Step Towards Organic Polymeric Infrared Lasers
inferredcites →https://doi.org/10.1103/revmodphys.81.109openalex-snapshot
The electronic properties of graphene
inferredcites →https://doi.org/10.1126/science.280.5370.1741openalex-snapshot
Integrated Optoelectronic Devices Based on Conjugated Polymers
inferredcites →https://doi.org/10.1524/zpch.1957.13.3_4.140openalex-snapshot
Electronic Structure and Spectra of Nitrogen Heterocycles

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Scientific Landscape on Compilers
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A Pariser–Parr–Pople Model Hamiltonian-Based Approach to the Electronic Structure and Optical Properties of Graphene Nanostructures
inferred← citeshttps://doi.org/10.1016/j.cpc.2011.11.006openalex-snapshot
A Fortran 90 Hartree–Fock program for one-dimensional periodic π-conjugated systems using Pariser–Parr–Pople model
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GRANAD - Simulating GRAphene nanoflakes with ADatoms
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Shape dependent magnetic and optical properties in silicene nanodisks: A first principles study
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Characterization of magnetic states of graphene quantum dots of different shapes by application of electric field
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01131openalex-snapshot
Effective Model Reduction Scheme for the Electronic Structure of Highly Doped Semiconducting Polymers
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c03439openalex-snapshot
DFT and Model Hamiltonian Study of Optoelectronic Properties of Some Low-Symmetry Graphene Quantum Dots
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c03774openalex-snapshot
Exciton Basis Description of Ultrafast Triplet Separation in Pentacene-(Tetracene)2-Pentacene Intramolecular Singlet Fission Chromophore
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c01719openalex-snapshot
Pariser–Parr–Pople Model Based Configuration-Interaction Study of Linear Optical Absorption in Lower-Symmetry Polycyclic Aromatic Hydrocarbon Molecules
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c03833openalex-snapshot
Graphene Quantum Dot with Divacancy and Topological Defects: A Novel Material for Promoting Prompt and Delayed Fluorescence of Tunable Wavelengths
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Tunable Optoelectronic Properties of Triply Bonded Carbon Molecules with Linear and Graphyne Substructures
inferred← citeshttps://doi.org/10.1021/jp408535uopenalex-snapshot
Pariser–Parr–Pople Model Based Investigation of Ground and Low-Lying Excited States of Long Acenes
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Excited States and Optical Properties of Hydrogen-Passivated Rectangular Graphenes: A Computational Study
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Theory of triplet optical absorption in oligoacenes: From naphthalene to heptacene
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Can model Hamiltonians describe the electron–electron interaction inπ-conjugated systems?: PAH and graphene
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Scaling of energy gaps in phosphorene nanoflakes
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Correlated theory of linear optical absorption of octacene and nonacene
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Effect of carrier doping and external electric field on the optical properties of graphene quantum dots
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Graphene quantum dots with a Stone-Wales defect as a topologically tunable platform for visible-light harvesting
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Theory of the electro-optical properties of graphene nanoribbons
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Band structure and optical absorption in multilayer armchair graphene nanoribbons: A Pariser-Parr-Pople model study
inferred← citeshttps://doi.org/10.1103/physrevb.92.205404openalex-snapshot
Theory of linear optical absorption in diamond-shaped graphene quantum dots
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Optical signatures of electric-field-driven magnetic phase transitions in graphene quantum dots
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Electron correlation effects and two-photon absorption in diamond-shaped graphene quantum dots
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On the forbidden gap of finite graphene nanoribbons
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Optical and magnetic properties of free-standing silicene, germanene and T-graphene system
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Simplified computations of spin excitations in high-spin carbon nanoclusters and related systems
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