features
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| * Python interface of DIRAC with [[https://github.com/bsenjean/Openfermion-Dirac|Openfermion]] (Bruno Senjean) to perform relativistic quantum chemistry calculations simulated on a quantum computer . | * Python interface of DIRAC with [[https://github.com/bsenjean/Openfermion-Dirac|Openfermion]] (Bruno Senjean) to perform relativistic quantum chemistry calculations simulated on a quantum computer . | ||
| * Nuclear Spin-Rotation tensors. Contributors: I. Agustin Aucar and Trond Saue. | * Nuclear Spin-Rotation tensors. Contributors: I. Agustin Aucar and Trond Saue. | ||
| - | * Reference: I. A. Aucar, S. S. Gómez, M. C. Ruiz de Azúa, and C. G. Giribet //Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei.//[[http://doi.org/10.1063/1.4721627|J. Chem. Phys. 136 (2012) 204119]] | + | * Reference: I. A. Aucar, S. S. Gómez, M. C. Ruiz de Azúa, and C. G. Giribet. //Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei.//[[http://doi.org/10.1063/1.4721627|J. Chem. Phys. 136 (2012) 204119]] |
| * Manual: [[http://www.diracprogram.org/doc/release-19/manual/properties.html#spin-rotation|".SPIN-R"]] | * Manual: [[http://www.diracprogram.org/doc/release-19/manual/properties.html#spin-rotation|".SPIN-R"]] | ||
| * Tutorial: [[http://www.diracprogram.org/doc/release-19/tutorials/spinrot/tutorial.html|Nuclear spin-rotation constants]] | * Tutorial: [[http://www.diracprogram.org/doc/release-19/tutorials/spinrot/tutorial.html|Nuclear spin-rotation constants]] | ||
features.txt · Last modified: 2021/02/09 00:45 by agustin_aucar
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