ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
ACES II, a new program system for ab initio electronic structure calculations is described. The strengths of ACES II involve the use of many-body perturbation theory (MBPT) and coupled-cluster (CC) theory for calculating the energy, geometry, spectra, and properties of small- to medium-sized molecules. This paper gives a brief overview of the ACES II project, describes many features of the program system, and documents a number of benchmark calculations. © 1992 John Wiley & Sons, Inc.
Additional Material:
7 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560440876
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