title: Numerical simulation of NQR/NMR: Applications in quantum computing.
abstract: A numerical simulation program able to simulate nuclear quadrupole resonance (NQR) as well as nuclear magnetic resonance (NMR) experiments is presented, written using the Mathematica package, aiming especially applications in quantum computing. The program makes use of the interaction picture to compute the effect of the relevant nuclear spin interactions, without any assumption about the relative size of each interaction. This makes the program flexible and versatile, being useful in a wide range of experimental situations, going from NQR (at zero or under small applied magnetic field) to high-field NMR experiments. Some conditions specifically required for quantum computing applications are implemented in the program, such as the possibility of use of elliptically polarized radiofrequency and the inclusion of first- and second-order terms in the average Hamiltonian expansion. A number of examples dealing with simple NQR and quadrupole-perturbed NMR experiments are presented, along with the proposal of experiments to create quantum pseudopure states and logic gates using NQR. The program and the various application examples are freely available through the link http://www.profanderson.net/files/nmr_nqr.php.
authors.affiliation: Departamento de Fı´sica, Universidade Federal do Espı´rito Santo, 29075-910 Vitória, ES, Brazil.
authors.forename: Denimar
authors.initials: D
authors.lastname: Possa
authors.forename: Anderson C
authors.initials: AC
authors.lastname: Gaudio
authors.forename: Jair C C
authors.initials: JC
authors.lastname: Freitas
mesh_terms: D000465:Algorithms; D002704:Chlorates / Q000737:chemistry; D003198:Computer Simulation; D004574:Electromagnetic Fields; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D011846:Radio Waves; D012984:Software
chemical_list: D002704:Chlorates; C032706:sodium chlorate; C022842:chloric acid