Accession Number:

ADA148159

Title:

Quantum Monte Carlo for Molecules.

Descriptive Note:

Annual summary rept. 1 Jan-31 Dec 84,

Corporate Author:

CALIFORNIA UNIV BERKELEY LAWRENCE BERKELEY LAB

Personal Author(s):

Report Date:

1984-11-01

Pagination or Media Count:

21.0

Abstract:

Research progress on an alternative method to variational and perturbative approaches for the electronic structure of molecules is described. Advances including 1 the first computation of a molecular excited state CH2 and 2 best computed bound to the classical barrier to the hydrogen exchange reaction are described.

Subject Categories:

  • Nuclear Physics and Elementary Particle Physics
  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE