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.
Original language | English |
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Pages (from-to) | 1450-1455 |
Number of pages | 6 |
Journal | Physical Review B |
Volume | 40 |
Issue number | 3 |
DOIs | |
Publication status | Published - 1989 |
Externally published | Yes |
ASJC Scopus subject areas
- Condensed Matter Physics