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11 lines
428 B
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11 lines
428 B
Plaintext
Computation of Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic
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correction at 2nd-4th order wrapped in CMake for the Psi4 project.
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It is based on these publications:
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* A. Wolf, M. Reiher, B. A. Hess, J. Chem. Phys. 117, 9215 (2002);
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http://dx.doi.org/10.1063/1.1515314
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* M. Reiher, A. Wolf, J. Chem. Phys. 121, 10945 (2004);
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http://dx.doi.org/10.1063/1.1818681
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WWW: http://www.reiher.ethz.ch/software/dkh-x2c.html
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