In this paper, we explore the numerical feasibility of carrying out quantum dynamics calculations from ab initio points for gas phase chemical reactions. In this approach, the ab initio data are Ðrst generated from quantum chemistry programs on a coarse numerical grid and a quantum dynamics calculation is then carried out using data from these grids. A crucial step in the success of this method...

c © 2003 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

The status of ab initio microscopic calculations of the H(p, γ)He and He(p, eνe) He reactions is reviewed. The methods used to generate accurate nuclear groundand scattering-state wave functions, and to construct realistic electro-weak transition operators are described. The uncertainties in the theoretical predictions, particularly those relevant to the p He weak capture, are discussed. For th...

There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic twoand three-nucleon interactions the ab initio no-core shell model (NCSM) can predict low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. In this contribution, we present a brief overview of the the first ste...

c © 2000 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...