Non-empirical pseudopotentials for molecular calculations
Author:
Affiliation:
1. a Laboratorie de Physique Quantique , Université Paul Sabatier , 31077 , Toulouse Cedex , France
2. b Labortoire de Chimie de Coordination du CNRS , B.P. 4142, 31030 , Toulouse Cedex , France
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268977700103141
Reference16 articles.
1. The Pseudopotential Concept
2. On the Use of Pseudopotentials in the Quantum Theory of Atoms and Molecules
3. A general pseudopotential model for molecules with many valence electrons
4. A theoretical method to determine atomic pseudopotentials for electronic structure calculations of molecules and solids
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