Ab initio effective one‐electron potential operators: Applications for charge‐transfer energy in effective fragment potentials
Author:
Affiliation:
1. Department of Physical and Quantum Chemistry, Faculty of Chemistry Wrocław University of Science and Technology Wrocław Poland
Funder
Narodowe Centrum Nauki
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26462
Reference101 articles.
1. Concept of charge transfer: Investigation of charge transfer in the glyoxal-formamide, water dimer, and water-lithium cation systems
2. Energy partitioning of the self‐consistent field interaction energy of ScCO
3. Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
4. Charge-transfer in Symmetry-Adapted Perturbation Theory
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