Local decomposition of imaginary polarizabilities and dispersion coefficients
Author:
Affiliation:
1. KTH Royal Institute of Technology
2. School of Biotechnology
3. Division of Theoretical Chemistry and Biology
4. SE-106 91 Stockholm
5. Sweden
6. Department of Chemistry
7. Aarhus University
8. Langelandsgade 140
9. 8000 Aarhus C
10. Denmark
Abstract
We present a new way to compute the two-body contribution to the dispersion energy using ab initio theory.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP02399E
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