Quantum electronic transport in a configuration interaction basis

P. Delaney, J. C. Greer

Research output: Journal PublicationArticlepeer-review

20 Citations (Scopus)


An overview of a many-body approach to calculation of electronic transport in molecular systems is given. The physics required to describe electronic transport through a molecule at the many-body level, without relying on commonly made assumptions such as the Landauer formalism or linear response theory, is discussed. Physically, our method relies on the incorporation of scattering boundary conditions into a many-body wavefunction and application of the maximum entropy principle to the transport region. Mathematically, this simple physical model translates into a constrained nonlinear optimization problem. A strategy for solving the constrained optimization problem is given.

Original languageEnglish
Pages (from-to)1163-1169
Number of pages7
JournalInternational Journal of Quantum Chemistry
Issue number6
Publication statusPublished - 20 Dec 2004
Externally publishedYes


  • Configuration interaction basis
  • Many-body approach
  • Maximum-entropy principle
  • Quantum electronic transport
  • Scattering-boundary conditions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry


Dive into the research topics of 'Quantum electronic transport in a configuration interaction basis'. Together they form a unique fingerprint.

Cite this