VARIATIONAL LOCALIZED-SITE CLUSTER EXPANSIONS .16. EXCITATIONS Academic Article uri icon

abstract

  • A powerful computational "transfer-matrix" technique is described in application to chemically motivated variational localized-site cluster-expanded wavefunctions. Earlier treatments of the ground state are extended to develop expressions for excited-state matrix elements. In particular, we treat the case of a translationally symmetric extended polymer chain. Computationally feasible formulae are obtained and found to lead to a quasi-particle band-theoretic picture including correlation. 1989.

published proceedings

  • JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

author list (cited authors)

  • KLEIN, D. J., GARCIABACH, M. A., & SEITZ, W. A.

citation count

  • 10

complete list of authors

  • KLEIN, DJ||GARCIABACH, MA||SEITZ, WA

publication date

  • March 1989