TZVP

AcronymDefinition
TZVPTriple Zeta Valence Plus Polarization
References in periodicals archive ?
This def-TZVP basis consists of the Stuttgart--Dresden pseudopotentials [10,30,31], which replaced 28 core electrons (46 in the case of La) with the corresponding def-TZVP basis sets on lanthanoids and the TZVP basis [32] on other atoms.
Comparison of Dolg's f-electrons in-core pseudopotentials and the corresponding basis sets for lanthanoids together with Dunning basis sets on non-lanthanoid atoms revealed that these basis set combinations may be even more accurate than the Stuttgart-Dresden pseudopotentials, which replaced 28 core electrons (46 in the case of La) with the corresponding def-TZVP basis sets on lanthanoids and the TZVP basis on other atoms.