Concepedia

The simulated ab-initio molecular orbital (SAMO) method for polymers. Polyethylene and polyene

Brian J. Duke, Brian O’Leary

Chemical Physics Letters · 1973 · 37 citations · 11 references

DOI

Concepts

References

11

Optimized Gaussian Basis SCF Wavefunctions for First-Row Atoms

Donald R. Whitman, C. J. Hornback · The Journal of Chemical Physics · 1969 · 146 citations

, , +14

Photoemission from polyethylene

Masamichi Fujihira, Hiroo Inokuchi · Chemical Physics Letters · 1972 · 135 citations

Electronic Structures of Polymers Using the Tight-Binding Approximation. I. Polyethylene by the Extended Hückel Method

Akira Imamura · The Journal of Chemical Physics · 1970 · 88 citations

, , +15

Simple Lcao band calculation for the ideal polyethylene chain

W. L. McCubbin, Rolf Manne · Chemical Physics Letters · 1968 · 74 citations

, , +12

All-electrons band structure of polyethylene in the nearest cell approximation

J. M. André, G. Leroy · Chemical Physics Letters · 1970 · 73 citations

, , +13