A general purpose \texttt{Fortran 90} electronic structure program for conjugated systems using Pariser-Parr-Pople model (Q615147)
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scientific article; zbMATH DE number 5832409
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| English | A general purpose \texttt{Fortran 90} electronic structure program for conjugated systems using Pariser-Parr-Pople model |
scientific article; zbMATH DE number 5832409 |
Statements
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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0.7784169316291809
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0.6623764038085938
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0.6505098342895508
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0.647494375705719
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