MINI, MIDI and MAXI basis sets

Modihed JNeglect of Diatomic Overlap fMNDO) 3.10.4 Austin Model 1 (AMI) 86 87 5.4.3 MINI, MIDI and MAXI Basis Sets 5.4.4 Atomic Natural Orbitals Basis Sets 161 161... 

MINI, MIDI and MAXI basis sets, 161 Minimum basis set, 152 Minimum Energy Path (MEP), 344, 390 Minimum Energy Path Semiclassical Adiabatic Ground-state (MEiPSAC) model, 392... 

The common denominator of the MINI and MIDI contractions is the use of three terms to represent the 2s atomic orbital. In the MAXI-i sets four Gaussian primitives are used along with up to seven Gaussians for the Is and 2p functions. These may be split in a variety of ways to yield basis sets, such as [7s,2s,ls,ls/4p,lp,lp,lp], which can be used in conjunction with polarization functions to yield high-accuracy results. No extensive calibration has been done for these basis sets. 

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