Some remarks on the Pariser-Parr-Pople method
نویسندگان
چکیده
منابع مشابه
A Fortran 90 Hartree-Fock program for one-dimensional periodic π-conjugated systems using Pariser-Parr-Pople model
Pariser-Parr-Pople (P-P-P) model Hamiltonian is employed frequently to study the electronic structure and optical properties of π-conjugated systems. In this paper we describe a Fortran 90 computer program which uses the P-P-P model Hamiltonian to solve the Hartree-Fock (HF) equation for infinitely long, onedimensional, periodic, π-electron systems. The code is capable of computing the band str...
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ژورنال
عنوان ژورنال: Theoretica Chimica Acta
سال: 1970
ISSN: 0040-5744,1432-2234
DOI: 10.1007/bf00527570