Ab initio effective core potential studies on polymers
- 1 January 1983
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 64 (1), 1-12
- https://doi.org/10.1007/bf00554147
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- Non-empirical atomic potentials for ground state calculations of polymersPublished by Springer Nature ,2008
- A comparative study ofab-initio effective core potential and all-electron calculations for molecular structures and transition statesTheoretical Chemistry Accounts, 1981
- Some aspects of bonding and binding in polymeric chainsInternational Journal of Quantum Chemistry, 1981
- The band structure of the tetracyanoplatinate chainJournal of the American Chemical Society, 1978
- A b i n i t i o Hartree–Fock crystal orbital studies. II. Energy bands of an infinite carbon chainThe Journal of Chemical Physics, 1978
- The Evaluation of Electron Repulsion IntegralsPublished by Springer Nature ,1978
- A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electronsThe Journal of Chemical Physics, 1976
- Ab-Initio SCF-LCAO Hartree-Fock Calculations and the Determination of Correlation Corrections in Three-Dimensional CrystalsPublished by Springer Nature ,1975
- Self-Consistent Field Theory for the Electronic Structure of PolymersThe Journal of Chemical Physics, 1969
- Self-Consistent-Field Tight-Binding Treatment of Polymers. I. Infinite Three-Dimensional CasePhysical Review B, 1967