Numerical solutions of the interface problem between two quasi-one-dimensional systems using a Greens matrix formalism

Document Type

Article

Publication Date

1-1-1989

Abstract

Ab initio self-consistent-field theory is applied for solving the interface problem between two quasi-one-dimensional hydrogen and lithium chains. Particularly, it is shown that the theory can be used for locating the interface states of the two chains to a high degree of accuracy and that the method is applicable to any two quasi-one-dimensional periodic polymers. © 1989 The American Physical Society.

Publication Title

Physical Review B

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