Calculating phase-coherent quantum transport in nanoelectronics with ab initio quasiatomic orbital basis set
We present an efficient and accurate computational approach to study phase-coherent quantum transport in molecular and nanoscale electronics. We formulate a Green's-function method in the recently developed ab initio nonorthogonal quasiatomic orbital basis set within the Landauer-Büttiker form...
| Main Authors: | , , |
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| Other Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society,
2011-06-17T15:03:49Z.
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| Subjects: | |
| Online Access: | Get fulltext |