MAXI basis sets

One feature of the Pople basis sets is that they use a so-called segmented contraction. This implies that the primitives used for one basis function are not used for another of the same angular momentum (e.g., no common primitives between the 2s and 3s basis functions for phosphorus). Such a contraction scheme is typical of older basis sets. Other segmented split-valence basis sets include the MIDI and MAXI basis sets of Huzinaga and co-workers, which are named MIDI-1, MIDI-2, etc., MAXI-1, MAXI-2, etc. and vary in the number of primitives used for different kinds of functions. 

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... 

MAXI—i and MIDI Are higher-accuracy basis sets derived from the MIDI basis set. 

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. 

Maximum Allowable Working Pressure (MAWP) The MAWP is the maxi mum gage pressure permissable at the top of a completed vessel in its operating position for a designated temperature. This pressure is the basis for the pressure setting of the pressure relieving devices protecting the vessel. 

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