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SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions.

, , , , , and . Journal of Computational Chemistry, 34 (22): 1961-1967 (2013)

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An updated version of the computational package SIMPRE that uses the standard conventions for Stevens crystal field parameters., , , , and . Journal of Computational Chemistry, 35 (26): 1930-1934 (2014)SIMPRE: A software package to calculate crystal field parameters, energy levels, and magnetic properties on mononuclear lanthanoid complexes based on charge distributions., , , , , and . Journal of Computational Chemistry, 34 (22): 1961-1967 (2013)SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence., , , , , and . Journal of Computational Chemistry, 37 (13): 1238-1244 (2016)MAGPACK1 A package to calculate the energy levels, bulk magnetic properties, and inelastic neutron scattering spectra of high nuclearity spin clusters., , , and . Journal of Computational Chemistry, 22 (9): 985-991 (2001)Parallel implementation of the MAGPACK package for the analysis of high-nuclearity spin clusters., , , and . Comput. Phys. Commun., 181 (12): 1929-1940 (2010)MVPACK: A package to calculate energy levels and magnetic properties of high nuclearity mixed valence clusters., , , , , and . Journal of Computational Chemistry, 31 (6): 1321-1332 (2010)VIBPACK: A package to treat multidimensional electron-vibrational molecular problems with application to magnetic and optical properties., , , and . Journal of Computational Chemistry, 39 (22): 1815-1827 (2018)Gd-Based Single-Ion Magnets with Tunable Magnetic Anisotropy: Molecular Design of Spin Qubits, , , , , , , , , and 3 other author(s). Phys. Rev. Lett., 108 (24): 247213 (June 2012)