A general purpose \texttt{Fortran 90} electronic structure program for conjugated systems using Pariser-Parr-Pople model
DOI10.1016/J.CPC.2009.12.015zbMath1205.82023arXiv0912.4576OpenAlexW2092967344MaRDI QIDQ615147
Publication date: 5 January 2011
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/0912.4576
Hartree-Fock methodmolecular orbitalsself-consistent field approachPariser-Parr-Pople (P-P-P) model Hamiltonianppp.x software tool
Statistical mechanics of polymers (82D60) Quantum optics (81V80) PDEs in connection with quantum mechanics (35Q40) Software, source code, etc. for problems pertaining to quantum theory (81-04) Software, source code, etc. for problems pertaining to statistical mechanics (82-04) Statistical mechanics of nanostructures and nanoparticles (82D80)
Uses Software
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