What Does DZPP Stand For?
DZPP stands for Double Zeta Doubly Polarized Basis Set
DZPP, or Double Zeta Doubly Polarized Basis Set, is a sophisticated computational tool used in quantum chemistry for modeling molecular systems. It enhances the accuracy of electronic structure calculations by providing a double zeta representation of the basis functions, which allows for the inclusion of additional orbitals that capture electron correlation effects more effectively. The "doubly polarized" aspect refers to the inclusion of both polar and angular components in the basis set, further improving the description of valence electrons and their interactions. DZPP is particularly useful in the study of complex molecular systems, enabling researchers to achieve more reliable and precise results in their calculations.
Added on 14th April 2008 | Last edited on 17th June 2025 | Edit Acronym