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:
A multireference Møller-Plesset (MR-MP) perturbation method, at the second-order level, is applied to the potential energy curve of the ground state of N2, for comparison with a variety of standard ab initio methods. In spite of the drastic simplification, the MR-MP results are very reliable. The energy errors are almost independent of geometry, allowing unbiased treatment of potential energy curves. The potential efficiency and accuracy of the MR-MP approach are emphasized. © 1992 John Wiley & Sons, Inc.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560440847
