A Fortran 90 Hartree–Fock program for one-dimensional periodic π-conjugated systems using Pariser–Parr–Pople model-Reference-Cited by-同舟云学术

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A Fortran 90 Hartree–Fock program for one-dimensional periodic π-conjugated systems using Pariser–Parr–Pople model

Published:2012-03 Issue:3 Volume:183 Page:677-689
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Kondayya Gundra,Shukla Alok

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference67 articles.

1. The Molecular Orbital Theory of Conjugated Systems;Salem,1966

2. Conjugated Conducting Polymers;Barieswyl,1992

3. Molecular Orbital Theory of Conjugated Systems;Salem,1966

4. Electronic and Optical Properties of Conjugated Polymers;Barford,2005

5. Handbook of Oligo- and Polythiophenes,1999

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2. Optical Parameters of $$\pi $$ π -Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory;Practical Aspects of Computational Chemistry IV;2016

3. Effectively unpaired electrons in bipartite lattices within the generalized tight-binding approximation: application to graphene nanoflakes;Functional materials;2014-12-30

4. Molecular Nonlinear Optical Parameters of π-Conjugated Nonalternant Hydrocarbons Obtained in Semiempirical Local Coupled-Cluster Theory;The Journal of Physical Chemistry C;2014-04-04

5. Molecular dipole static polarisabilities and hyperpolarisabilities of conjugated oligomer chains calculated with the local π-electron coupled cluster theory;Molecular Physics;2013-12

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