What Does OHFS Stand For?

OHFS stands for Optimized Hartree Fock Slater

OHFS, or Optimized Hartree Fock Slater, refers to an advanced computational method in quantum chemistry that combines the Hartree-Fock approach with Slater determinants to improve the accuracy of electronic structure calculations. By optimizing the variational parameters in the wavefunction, OHFS enhances the description of electron correlation and spatial electron distribution in molecular systems, providing a more reliable framework for predicting molecular properties and behaviors. This method is particularly useful in the study of complex molecular interactions and the design of new materials.