期刊
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
卷 114, 期 1, 页码 50-56出版社
WILEY
DOI: 10.1002/qua.24500
关键词
nuclear quantum effects; isotope effects; APMO method; exotic molecules; propagator method
类别
资金
- Universidad Nacional [DIB-201010018545, DIB-201010016739]
- SEP-CONACYT (Mexico) [127362]
- CONACYT [257420]
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 MOller-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. (c) 2013 Wiley Periodicals, Inc.
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