SearchBasisSets - Maple Help
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QuantumChemistry

  

SearchBasisSets

  

 

Calling Sequence

Parameters

Description

Examples

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

> 

withQuantumChemistry:

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

> 

keyword ≔ cc-pvdz;

keyword≔cc-pvdz

(1)
> 

output≔ SearchBasisSetskeyword;

output≔augccpvdz,augccpvdzdk,augccpvdzdkh,augccpvdzjkfit,augccpvdzoptri,augccpvdzpjkfit,augccpvdzpp,augccpvdzpri,augccpvdzri,ccpvdz,ccpvdzdk,ccpvdzdkh,ccpvdzf12nz,ccpvdzf12optri,ccpvdzf12rev2,ccpvdzfit,ccpvdzjkfit,ccpvdzpp,ccpvdzppnr,ccpvdzri,heavyaugccpvdzjkfit

(2)
> 

See Also

Basis

 

 

 

 


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