What Does STHF Stand For?

STHF stands for Single Term Hartree Fock

STHF, or Single Term Hartree Fock, is a computational quantum chemistry method used to approximate the behavior of many-electron systems. It simplifies the electronic wavefunction by focusing on a single Slater determinant to represent electron interactions, allowing for efficient calculations of molecular properties. This approach is particularly useful in systems where electron correlation effects can be treated as perturbations, making it a valuable tool in theoretical and computational frameworks for predicting molecular structures and energies.