Hybrid Functionals In quantum chemistry, hybrid functionals play a pivotal role in enhancing the accuracy of electronic structure calculations. To understand hybrid functionals, it is crucial to examine the foundational theories they build upon: Hartree-Fock (HF) theory and density functional Read more…

In computational chemistry, there are several reputable journals where researchers can publish their work. Here are some of the top journals in this field: Remember to check the specific focus and scope of each journal before submitting your manuscript to Read more…