Determination of ab initio polarizabilities of polymers: Application to polyethylene and polysilane
- 20 May 1992
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 42 (4) , 1009-1024
- https://doi.org/10.1002/qua.560420434
Abstract
No abstract availableKeywords
This publication has 41 references indexed in Scilit:
- The general atomic and molecular electronic structure system hondo: Version 7.0Computer Physics Communications, 1989
- Calculations of first‐ and second‐order nonlinear molecular hyperpolarizabilities by perturbation methods: I. An efficient method for evaluating time‐independent hyperpolarizabilitiesJournal of Computational Chemistry, 1986
- Energy spectrum for an electron in a periodic potential and an electric fieldPhysica B+C, 1983
- Effect of boundary conditions on the behavior of Bloch electronsAmerican Journal of Physics, 1982
- Multipole expansion in tight-binding Hartree-Fock calculations for infinite model polymersPhysical Review B, 1980
- Chain-Pairing Effects in One-Dimensional Conjugated Polymers and SemiconductorsPhysical Review Letters, 1977
- Electronic structure of polyethylene: Theory and ESCA measurementsThe Journal of Chemical Physics, 1974
- Polymol: A general program for the calculation of ground-state wave functions of polymersComputer Physics Communications, 1970
- L'Etude Théorique des Systèmes Périodiques. I. La Méthode LCAO-HCOInternational Journal of Quantum Chemistry, 1967
- Eigenvalue problem in a linearly dependent basis and the super-secular-equationInternational Journal of Quantum Chemistry, 1967