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 formalis...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Physical Society
2011
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| Online Access: | http://hdl.handle.net/1721.1/64475 https://orcid.org/0000-0002-2727-0137 |