LOWDIN: The any particle molecular orbital code

Roberto Flores-Moreno, Edwin Posada, Félix Moncada, Jonathan Romero, Jorge Charry, Manuel Díaz-Tinoco, Sergio A. González, Néstor F. Aguirre, Andrés Reyes

Research output: Contribution to journalArticlepeer-review

52 Scopus citations

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. LOWDIN is a versatile computational program that implements the any particle molecular orbital (APMO) method. In the APMO framework, typical electronic structure methodologies are extended to any type of quantum particle. With the LOWDIN program, systems containing any type and number of quantum species can be studied.

Original languageEnglish
Pages (from-to)50-56
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume114
Issue number1
DOIs
StatePublished - Jan 5 2014
Externally publishedYes

Keywords

  • APMO method
  • exotic molecules
  • isotope effects
  • nuclear quantum effects
  • propagator method

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