Benchmark Assessment Repository: Electric Response [J. Chem. Phys. 123 121103]
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Professor David J Tozer
Department of Chemistry
Durham University
South Road
Durham
DH1 3LE UK
Tel. +44 191 334 2111
[email protected]
Benchmark Assessment Repository: Electric Response [J. Chem. Phys. 123 121103]
COMPLETE SETS (COMPRESSED FILES) | ||
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Isotropic Electric Polarisabilities | ZIP | TAR.GZ |
Electric Multipole Moments | ZIP | TAR.GZ |
Electric Hyperpolarisabilities | ZIP | TAR.GZ |
INDIVIDUAL FILES | ||
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Isotropic Electric Polarisabilities | Electric Multipole Moments | Electric Hyperpolarisabilities |
Isotropic Electric Polarisabilities
Electric Multipole Moments
Electric Hyperpolarisabilities – Calculated numerically by applying Positive/Negative Electric Fields