Generator coordinate treatment of some model periodic systems
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. Copyright © 1983 John Wiley & Sons, Inc.
International Journal of Quantum Chemistry
Generator coordinate treatment of some model periodic systems.
International Journal of Quantum Chemistry,
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