Efficient hybrid-symbolic methods for quantum mechanical calculations
From MaRDI portal
Publication:311842
DOI10.1016/j.cpc.2015.02.009zbMath1344.81028MaRDI QIDQ311842
Publication date: 13 September 2016
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2015.02.009
quantum chemistry; Maple; Matlab; symbolic manipulation; Scilab; basis sets; efficient code generation; macrofort
81-04: Software, source code, etc. for problems pertaining to quantum theory
81V55: Molecular physics
Uses Software