What Does VTZ Stand For?

VTZ stands for Valence Triple Zeta Basis Set

VTZ, or Valence Triple Zeta Basis Set, is a computational chemistry basis set characterized by its three sets of basis functions for valence electrons in molecular systems. This level of approximation allows for enhanced accuracy in quantum chemical calculations, providing a more detailed representation of electron distribution and interactions. VTZ is commonly employed in high-level electronic structure calculations to improve the reliability of molecular property predictions and reaction mechanisms.