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LOWDIN: The any particle molecular orbital code
Author(s) -
FloresMoreno Roberto,
Posada Edwin,
Moncada Félix,
Romero Jonathan,
Charry Jorge,
DíazTinoco Manuel,
González Sergio A.,
Aguirre Néstor F.,
Reyes Andrés
Publication year - 2013
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24500
Subject(s) - exploit , flexibility (engineering) , propagator , computer science , code (set theory) , density functional theory , key (lock) , theoretical computer science , quantum , physics , theoretical physics , statistical physics , quantum mechanics , mathematics , programming language , set (abstract data type) , statistics , computer security
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.