QuantumChemistry
SearchBasisSets
Calling Sequence
Parameters
Description
Examples
SearchBasisSets(basis)
basis
-
string; a basis set name or part of a basis set name
The SearchBasisSets command returns the set of basis sets that contain the searched keyword.
withQuantumChemistry:
Let's look for basis sets containing the "cc-pvdz" keyword
keyword ≔ cc-pvdz;
keyword≔cc-pvdz
output≔ SearchBasisSetskeyword;
output≔augccpvdz,augccpvdzdk,augccpvdzdkh,augccpvdzjkfit,augccpvdzoptri,augccpvdzpjkfit,augccpvdzpp,augccpvdzpri,augccpvdzri,ccpvdz,ccpvdzdk,ccpvdzdkh,ccpvdzf12nz,ccpvdzf12optri,ccpvdzf12rev2,ccpvdzfit,ccpvdzjkfit,ccpvdzpp,ccpvdzppnr,ccpvdzri,heavyaugccpvdzjkfit
See Also
Basis
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