An efficient procedure to evaluate long‐range coulombic interactions within the framework of the LCAO–CO method for infinite polymers
- 1 May 1978
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 13 (5) , 605-617
- https://doi.org/10.1002/qua.560130505
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
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- LCAO Methods for Band Structure Calculations of PolymersPublished by Springer Nature ,1978
- Quantum Theory of PolymersPublished by Springer Nature ,1978
- Ab initio studies on infinite linear hydrogen fluoride chainsChemical Physics Letters, 1976
- On the AB initio crystal orbital methodActa Physica Academiae Scientiarum Hungaricae, 1976
- A floating spherical gaussian orbital model for polymers: I. general formalism and computational procedureInternational Journal of Quantum Chemistry, 1976
- Electronic Structure of Polymers and Molecular CrystalsPublished by Springer Nature ,1975
- Polymol: A general program for the calculation of ground-state wave functions of polymersComputer Physics Communications, 1970