A general purpose \texttt{Fortran 90} electronic structure program for conjugated systems using Pariser-Parr-Pople model (Q615147)
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scientific article
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| English | A general purpose \texttt{Fortran 90} electronic structure program for conjugated systems using Pariser-Parr-Pople model |
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A general purpose \texttt{Fortran 90} electronic structure program for conjugated systems using Pariser-Parr-Pople model (English)
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5 January 2011
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Hartree-Fock method
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self-consistent field approach
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Pariser-Parr-Pople (P-P-P) model Hamiltonian
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molecular orbitals
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ppp.x software tool
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