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features [2020/03/09 00:21]
agustin_aucar
features [2021/02/09 00:45] (current)
agustin_aucar
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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