Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5387830 | Chemical Physics Letters | 2008 | 4 Pages |
Abstract
We present a methodology that enables fast anharmonic VSCF/VCI calculations for large molecules using a variational-perturbative selection scheme.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yohann Scribano, David M. Benoit,