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:
The generator coordinate method (GCM) is a powerful variational technique invented for studying nuclear collective motion and extended in recent times by Lathouwers, Van Leuven, and Laskowski et al. to problems of molecular electronic structure and vibrations. In preparation for the application of GCM to electron correlation and lattice dynamical problems in solids, we have studied linear periodically bounded systems consisting of one- and two-mass anharmonic chains of both finite and infinite length. Preliminary results for the variational energy and vibrational spectra from some simple intrinsic functions are presented.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560230421
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