Pair 2-electron reduced density matrix theory using localized orbitals
Pair 2-electron reduced density matrix theory using localized orbitals is a scholarly work, published in 2017 in ''Journal of Chemical Physics''. The main subjects of the publication include chemistry, electron, Slater-type orbital, physics, proton-coupled electron transfer, molecular physics, quantum mechanics, quantum biology, density functional theory, molecular orbital theory, atomic orbital, molecular orbital, Complete active space, and linear combination of atomic orbitals. The authors show that localized molecular orbitals can be employed to generate an efficient, approximately size-extensive pair 2-RDM method.