Skip to main content
Book Chapter

Multiconfiguration Self-Consistent-Field Wavefunction for Excited States

  • Bauschlicher C
  • Silver D
  • Yarkony D
DOI: 10.1007/978-3-642-93163-5_6
N/ACitations
Citations of this article
1Readers
Mendeley users who have this article in their library.
Get full text

Abstract

A MC-SCF (MCSCF) procedure based on the Generalized Brillouin's Theorem and the Iterative Natural Orbital procedure is presented. A constrained MCSCF algorithm appropriate for use in the event of variational collapse of an excited state calcn. is also discussed. The algorithm appears to provide an efficient method of detg. compact MCSCF descriptions for several states of a given overall space-spin symmetry.

Cite

CITATION STYLE

APA

Bauschlicher, C. W., Silver, D. M., & Yarkony, D. R. (1981). Multiconfiguration Self-Consistent-Field Wavefunction for Excited States (pp. 136–142). https://doi.org/10.1007/978-3-642-93163-5_6

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free