Quantum Monte Carlo for Molecules.
Annual summary rept. 1 Jan-31 Dec 84,
CALIFORNIA UNIV BERKELEY LAWRENCE BERKELEY LAB
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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.
- Nuclear Physics and Elementary Particle Physics
- Quantum Theory and Relativity