Quantum Monte Carlo for Molecules.
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 01, 1984
- Accession Number
- ADA148159
Entities
People
- P. J. Reynolds
- W. A. Lester Jr.
Organizations
- University of California, Berkeley