Analytical stress tensor and pressure calculations with the CRYSTAL code
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268970903193028
Reference18 articles.
1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
2. ANALYTICAL DERIVATIVE TECHNIQUES AND THE CALCULATION OF VIBRATIONAL SPECTRA
3. GEOMETRY OPTIMIZATION ON POTENTIAL ENERGY SURFACES
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