Open AccessMolecular integrals from Fast Fourier Transforms (FFT) instead of recurrences: The McMurchie–Davidson case
Author(s) -
Mieke Peels,
Gerald Knizia
Publication year - 2020
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0002880
Subject(s) - fast fourier transform , circulant matrix , cartesian coordinate system , cartesian product , simple (philosophy) , fourier transform , mathematics , matrix (chemical analysis) , transformation matrix , algebra over a field , pure mathematics , combinatorics , physics , mathematical analysis , algorithm , geometry , quantum mechanics , chemistry , philosophy , kinematics , epistemology , chromatography