LOWDIN: The any particle molecular orbital code |
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| Authors: | Roberto Flores‐Moreno Edwin Posada Félix Moncada Jonathan Romero Jorge Charry Manuel Díaz‐Tinoco Sergio A. González Néstor F. Aguirre Andrés Reyes |
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| Affiliation: | 1. Department of Chemistry, University of Guadalajara, , Guadalajara Jal., C.P. 44430 Mexico;2. Department of Chemistry, Universidad Nacional de Colombia, , Av. Cra. 30 45‐03 Bogotá, Colombia;3. Instituto de Física Fundamental (C.S.I.C.), , E‐28006 Madrid, Spain |
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| Abstract: | ![]()
LOWDIN is a computational program that implements the Any Particle Molecular Orbital (APMO) method. The current version of the code encompasses Hartree–Fock, second‐order Møller–Plesset, configuration interaction, density functional, and generalized propagator theories. LOWDIN input file offers a unique flexibility, allowing users to exploit all the programs' capabilities to study systems containing any type and number of quantum species. This review provides a basic introduction to LOWDIN's key computational details and capabilities. © 2013 Wiley Periodicals, Inc. |
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| Keywords: | nuclear quantum effects isotope effects APMO method exotic molecules propagator method |
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