SearchBasisSets - Maple Help

QuantumChemistry

 SearchBasisSets

 Calling Sequence SearchBasisSets(basis)

Parameters

 basis - string; a basis set name or part of a basis set name

Description

 • The SearchBasisSets command returns the set of basis sets that contain the searched keyword.

Examples

 > $\mathrm{with}\left(\mathrm{QuantumChemistry}\right):$

Let's look for basis sets containing the "cc-pvdz" keyword

 >
 ${\mathrm{keyword}}{≔}{"cc-pvdz"}$ (1)
 >
 ${\mathrm{output}}{≔}\left[{"augccpvdz"}{,}{"augccpvdzdk"}{,}{"augccpvdzdkh"}{,}{"augccpvdzjkfit"}{,}{"augccpvdzoptri"}{,}{"augccpvdzpjkfit"}{,}{"augccpvdzpp"}{,}{"augccpvdzpri"}{,}{"augccpvdzri"}{,}{"ccpvdz"}{,}{"ccpvdzdk"}{,}{"ccpvdzdkh"}{,}{"ccpvdzf12nz"}{,}{"ccpvdzf12optri"}{,}{"ccpvdzf12rev2"}{,}{"ccpvdzfit"}{,}{"ccpvdzjkfit"}{,}{"ccpvdzpp"}{,}{"ccpvdzppnr"}{,}{"ccpvdzri"}{,}{"heavyaugccpvdzjkfit"}\right]$ (2)
 >