A floating spherical gaussian orbital model for polymers: I. general formalism and computational procedure
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference14 articles.
1. Ab Initio and Semi-Empirical Band Structure Calculations on Polymers
2. All-electrons band structure of polyethylene in the nearest cell approximation
3. Electronic structure of polyethylene: Theory and ESCA measurements
4. The simulated ab-initio molecular orbital (SAMO) method for polymers. Polyethylene and polyene
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1. A nonempirical model potential technique for calculations of band structures of polymers;International Journal of Quantum Chemistry;2009-06-18
2. Long-range coulombic interactions in the theory of polymers: A statement of the problem and a method for calculation by the fourier transformation technique;International Journal of Quantum Chemistry;2009-06-18
3. Interpretation of energy bands of regular quasi-one-dimensional systems in terms of local structure;International Journal of Quantum Chemistry;2001
4. Interpretation of energy bands of polyethylene in terms of effective interactions between first- and second-neighboring CH2 groups;International Journal of Quantum Chemistry;1997
5. An alternative way of solving secular equations for the Hamiltonian matrices of regular quasi‐one‐dimensional systems;International Journal of Quantum Chemistry;1996-11-05
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